Distributional reinforcement learning~(RL) is a class of state-of-the-art algorithms that estimate the entire distribution of the total return rather than only its expectation. The empirical success of distributional RL is determined by the representation of return distributions and the choice of distribution divergence. In this paper, we propose a new class of \textit{Sinkhorn distributional RL~(SinkhornDRL)} algorithm that learns a finite set of statistics, i.e., deterministic samples, from each return distribution and then uses Sinkhorn iterations to evaluate the Sinkhorn distance between the current and target Bellmen distributions. Sinkhorn divergence features as the interpolation between the Wasserstein distance and Maximum Mean Discrepancy~(MMD). SinkhornDRL finds a sweet spot by taking advantage of the geometry of optimal transport-based distance and the unbiased gradient estimate property of MMD. Finally, compared to state-of-the-art algorithms, SinkhornDRL's competitive performance is demonstrated on the suit of 55 Atari games.  ( 2 min )

Training vision or language models on large datasets can take days, if not weeks. We show that averaging the weights of the k latest checkpoints, each collected at the end of an epoch, can speed up the training progression in terms of loss and accuracy by dozens of epochs, corresponding to time savings up to ~68 and ~30 GPU hours when training a ResNet50 on ImageNet and RoBERTa-Base model on WikiText-103, respectively. We also provide the code and model checkpoint trajectory to reproduce the results and facilitate research on reusing historical weights for faster convergence.  ( 2 min )

Driven by the empirical success and wide use of deep neural networks, understanding the generalization performance of overparameterized models has become an increasingly popular question. To this end, there has been substantial effort to characterize the implicit bias of the optimization algorithms used, such as gradient descent (GD), and the structural properties of their preferred solutions. This paper answers an open question in this literature: For the classification setting, what solution does mirror descent (MD) converge to? Specifically, motivated by its efficient implementation, we consider the family of mirror descent algorithms with potential function chosen as the $p$-th power of the $\ell_p$-norm, which is an important generalization of GD. We call this algorithm $p$-$\textsf{GD}$. For this family, we characterize the solutions it obtains and show that it converges in direction to a generalized maximum-margin solution with respect to the $\ell_p$-norm for linearly separable classification. While the MD update rule is in general expensive to compute and perhaps not suitable for deep learning, $p$-$\textsf{GD}$ is fully parallelizable in the same manner as SGD and can be used to train deep neural networks with virtually no additional computational overhead. Using comprehensive experiments with both linear and deep neural network models, we demonstrate that $p$-$\textsf{GD}$ can noticeably affect the structure and the generalization performance of the learned models.  ( 3 min )

Graph neural networks (GNNs) have shown broad applicability in a variety of domains. These domains, e.g., social networks and product recommendations, are fertile ground for malicious users and behavior. In this paper, we show that GNNs are vulnerable to the extremely limited (and thus quite realistic) scenarios of a single-node adversarial attack, where the perturbed node cannot be chosen by the attacker. That is, an attacker can force the GNN to classify any target node to a chosen label, by only slightly perturbing the features or the neighbor list of another single arbitrary node in the graph, even when not being able to select that specific attacker node. When the adversary is allowed to select the attacker node, these attacks are even more effective. We demonstrate empirically that our attack is effective across various common GNN types (e.g., GCN, GraphSAGE, GAT, GIN) and robustly optimized GNNs (e.g., Robust GCN, SM GCN, GAL, LAT-GCN), outperforming previous attacks across different real-world datasets both in a targeted and non-targeted attacks. Our code is available at https://github.com/benfinkelshtein/SINGLE .  ( 3 min )

The Echo State Network (ESN) is a class of Recurrent Neural Network with a large number of hidden-hidden weights (in the so-called reservoir). Canonical ESN and its variations have recently received significant attention due to their remarkable success in the modeling of non-linear dynamical systems. The reservoir is randomly connected with fixed weights that don't change in the learning process. Only the weights from reservoir to output are trained. Since the reservoir is fixed during the training procedure, we may wonder if the computational power of the recurrent structure is fully harnessed. In this article, we propose a new computational model of the ESN type, that represents the reservoir weights in the Fourier space and performs a fine-tuning of these weights applying genetic algorithms in the frequency domain. The main interest is that this procedure will work in a much smaller space compared to the classical ESN, thus providing a dimensionality reduction transformation of the initial method. The proposed technique allows us to exploit the benefits of the large recurrent structure avoiding the training problems of gradient-based method. We provide a detailed experimental study that demonstrates the good performances of our approach with well-known chaotic systems and real-world data.  ( 3 min )

This paper introduces a simple efficient learning algorithms for general sequential decision making. The algorithm combines Optimism for exploration with Maximum Likelihood Estimation for model estimation, which is thus named OMLE. We prove that OMLE learns the near-optimal policies of an enormously rich class of sequential decision making problems in a polynomial number of samples. This rich class includes not only a majority of known tractable model-based Reinforcement Learning (RL) problems (such as tabular MDPs, factored MDPs, low witness rank problems, tabular weakly-revealing/observable POMDPs and multi-step decodable POMDPs), but also many new challenging RL problems especially in the partially observable setting that were not previously known to be tractable. Notably, the new problems addressed by this paper include (1) observable POMDPs with continuous observation and function approximation, where we achieve the first sample complexity that is completely independent of the size of observation space; (2) well-conditioned low-rank sequential decision making problems (also known as Predictive State Representations (PSRs)), which include and generalize all known tractable POMDP examples under a more intrinsic representation; (3) general sequential decision making problems under SAIL condition, which unifies our existing understandings of model-based RL in both fully observable and partially observable settings. SAIL condition is identified by this paper, which can be viewed as a natural generalization of Bellman/witness rank to address partial observability.  ( 3 min )

Digraph Representation Learning (DRL) aims to learn representations for directed homogeneous graphs (digraphs). Prior work in DRL is largely constrained (e.g., limited to directed acyclic graphs), or has poor generalizability across tasks (e.g., evaluated solely on one task). Most Graph Neural Networks (GNNs) exhibit poor performance on digraphs due to the neglect of modeling neighborhoods and preserving asymmetry. In this paper, we address these notable challenges by leveraging hyperbolic collaborative learning from multi-ordered and partitioned neighborhoods, and regularizers inspired by socio-psychological factors. Our resulting formalism, Digraph Hyperbolic Networks (D-HYPR) - albeit conceptually simple - generalizes to digraphs where cycles and non-transitive relations are common, and is applicable to multiple downstream tasks including node classification, link presence prediction, and link property prediction. In order to assess the effectiveness of D-HYPR, extensive evaluations were performed across 8 real-world digraph datasets involving 21 prior techniques. D-HYPR statistically significantly outperforms the current state of the art. We release our code at https://github.com/hongluzhou/dhypr  ( 2 min )

The Observation--Hypothesis--Prediction--Experimentation loop paradigm for scientific research has been practiced by researchers for years towards scientific discoveries. However, with data explosion in both mega-scale and milli-scale scientific research, it has been sometimes very difficult to manually analyze the data and propose new hypotheses to drive the cycle for scientific discovery. In this paper, we discuss the role of Explainable AI in scientific discovery process by demonstrating an Explainable AI-based paradigm for science discovery. The key is to use Explainable AI to help derive data or model interpretations, hypotheses, as well as scientific discoveries or insights. We show how computational and data-intensive methodology -- together with experimental and theoretical methodology -- can be seamlessly integrated for scientific research. To demonstrate the AI-based science discovery process, and to pay our respect to some of the greatest minds in human history, we show how Kepler's laws of planetary motion and Newton's law of universal gravitation can be rediscovered by (Explainable) AI based on Tycho Brahe's astronomical observation data, whose works were leading the scientific revolution in the 16-17th century. This work also highlights the important role of Explainable AI (as compared to Blackbox AI) in science discovery to help humans prevent or better prepare for the possible technological singularity that may happen in the future, since science is not only about the know how, but also the know why. Presentation of the work is available at https://slideslive.com/38986142/from-kepler-to-newton-explainable-ai-for-science-discovery.  ( 3 min )

In recent times, deep neural networks achieved outstanding predictive performance on various classification and pattern recognition tasks. However, many real-world prediction problems have ordinal response variables, and this ordering information is ignored by conventional classification losses such as the multi-category cross-entropy. Ordinal regression methods for deep neural networks address this. One such method is the CORAL method, which is based on an earlier binary label extension framework and achieves rank consistency among its output layer tasks by imposing a weight-sharing constraint. However, while earlier experiments showed that CORAL's rank consistency is beneficial for performance, {it is limited by a weight-sharing constraint in a neural network's fully connected output layer. We propose a new method for rank-consistent ordinal regression without this limitation. Our rank-consistent ordinal regression framework (CORN) achieves rank consistency by a novel training scheme. This training scheme uses} conditional training sets to obtain the unconditional rank probabilities through applying the chain rule for conditional probability distributions. Experiments on various datasets demonstrate the efficacy of the proposed method to utilize the ordinal target information, and the absence of the weight-sharing restriction improves the performance substantially compared to the CORAL reference approach.  ( 3 min )

We propose the new task of K principal concept identification for dataset summarizarion. The objective is to find a set of K concepts that best explain the variation within the dataset. Concepts are high-level human interpretable terms such as "tiger", "kayaking" or "happy". The K concepts are selected from a (potentially long) input list of candidates, which we denote the concept-bank. The concept-bank may be taken from a generic dictionary or constructed by task-specific prior knowledge. An image-language embedding method (e.g. CLIP) is used to map the images and the concept-bank into a shared feature space. To select the K concepts that best explain the data, we formulate our problem as a K-uncapacitated facility location problem. An efficient optimization technique is used to scale the local search algorithm to very large concept-banks. The output of our method is a set of K principal concepts that summarize the dataset. Our approach provides a more explicit summary in comparison to selecting K representative images, which are often ambiguous. As a further application of our method, the K principal concepts can be used to classify the dataset into K groups. Extensive experiments demonstrate the efficacy of our approach.  ( 3 min )

Sparse inversion and classification problems are ubiquitous in modern data science and imaging. They are often formulated as non-smooth minimisation problems. In sparse inversion, we minimise, e.g., the sum of a data fidelity term and an L1/LASSO regulariser. In classification, we consider, e.g., the sum of a data fidelity term and a non-smooth Ginzburg--Landau energy. Standard (sub)gradient descent methods have shown to be inefficient when approaching such problems. Splitting techniques are much more useful: here, the target function is partitioned into a sum of two subtarget functions -- each of which can be efficiently optimised. Splitting proceeds by performing optimisation steps alternately with respect to each of the two subtarget functions. In this work, we study splitting from a stochastic continuous-time perspective. Indeed, we define a differential inclusion that follows one of the two subtarget function's negative subdifferential at each point in time. The choice of the subtarget function is controlled by a binary continuous-time Markov process. The resulting dynamical system is a stochastic approximation of the underlying subgradient flow. We investigate this stochastic approximation for an L1-regularised sparse inversion flow and for a discrete Allen-Cahn equation minimising a Ginzburg--Landau energy. In both cases, we study the longtime behaviour of the stochastic dynamical system and its ability to approximate the underlying subgradient flow at any accuracy. We illustrate our theoretical findings in a simple sparse estimation problem and also in low- and high-dimensional classification problems.  ( 3 min )

In this paper we present a world model, which learns causal features using the invariance principle. In particular, we use contrastive unsupervised learning to learn the invariant causal features, which enforces invariance across augmentations of irrelevant parts or styles of the observation. The world-model-based reinforcement learning methods independently optimize representation learning and the policy. Thus naive contrastive loss implementation collapses due to a lack of supervisory signals to the representation learning module. We propose an intervention invariant auxiliary task to mitigate this issue. Specifically, we utilize depth prediction to explicitly enforce the invariance and use data augmentation as style intervention on the RGB observation space. Our design leverages unsupervised representation learning to learn the world model with invariant causal features. Our proposed method significantly outperforms current state-of-the-art model-based and model-free reinforcement learning methods on out-of-distribution point navigation tasks on the iGibson dataset. Moreover, our proposed model excels at the sim-to-real transfer of our perception learning module. Finally, we evaluate our approach on the DeepMind control suite and enforce invariance only implicitly since depth is not available. Nevertheless, our proposed model performs on par with the state-of-the-art counterpart.  ( 2 min )

Contrastive representation learning has proven to be an effective self-supervised learning method. Most successful approaches are based on Noise Contrastive Estimation (NCE) and use different views of an instance as positives that should be contrasted with other instances, called negatives, that are considered as noise. However, several instances in a dataset are drawn from the same distribution and share underlying semantic information. A good data representation should contain relations, or semantic similarity, between the instances. Contrastive learning implicitly learns relations but considering all negatives as noise harms the quality of the learned relations. To circumvent this issue, we propose a novel formulation of contrastive learning using semantic similarity between instances called Similarity Contrastive Estimation (SCE). Our training objective is a soft contrastive learning one. Instead of hard classifying positives and negatives, we estimate from one view of a batch a continuous distribution to push or pull instances based on their semantic similarities. This target similarity distribution is sharpened to eliminate noisy relations. The model predicts for each instance, from another view, the target distribution while contrasting its positive with negatives. Experimental results show that SCE is Top-1 on the ImageNet linear evaluation protocol at 100 pretraining epochs with 72.1% accuracy and is competitive with state-of-the-art algorithms by reaching 75.4% for 200 epochs with multi-crop. We also show that SCE is able to generalize to several tasks. Source code is available here: https://github.com/CEA-LIST/SCE.  ( 3 min )

New methods designed to preserve data privacy require careful scrutiny. Failure to preserve privacy is hard to detect, and yet can lead to catastrophic results when a system implementing a ``privacy-preserving'' method is attacked. A recent work selected for an Outstanding Paper Award at ICML 2022 (Dong et al., 2022) claims that dataset condensation (DC) significantly improves data privacy when training machine learning models. This claim is supported by theoretical analysis of a specific dataset condensation technique and an empirical evaluation of resistance to some existing membership inference attacks. In this note we examine the claims in the work of Dong et al. (2022) and describe major flaws in the empirical evaluation of the method and its theoretical analysis. These flaws imply that their work does not provide statistically significant evidence that DC improves the privacy of training ML models over a naive baseline. Moreover, previously published results show that DP-SGD, the standard approach to privacy preserving ML, simultaneously gives better accuracy and achieves a (provably) lower membership attack success rate.  ( 2 min )

With the proliferation of smart devices and revolutions in communications, electrical distribution systems are gradually shifting from passive, manually-operated and inflexible ones, to a massively interconnected cyber-physical smart grid to address the energy challenges of the future. However, the integration of several cutting-edge technologies has introduced several security and privacy vulnerabilities due to the large-scale complexity and resource limitations of deployments. Recent research trends have shown that False Data Injection (FDI) attacks are becoming one of the most malicious cyber threats within the entire smart grid paradigm. Therefore, this paper presents a comprehensive survey of the recent advances in FDI attacks within active distribution systems and proposes a taxonomy to classify the FDI threats with respect to smart grid targets. The related studies are contrasted and summarized in terms of the attack methodologies and implications on the electrical power distribution networks. Finally, we identify some research gaps and recommend a number of future research directions to guide and motivate prospective researchers.  ( 3 min )

In many real-world inverse problems, only incomplete measurement data are available for training which can pose a problem for learning a reconstruction function. Indeed, unsupervised learning using a fixed incomplete measurement process is impossible in general, as there is no information in the nullspace of the measurement operator. This limitation can be overcome by using measurements from multiple operators. While this idea has been successfully applied in various applications, a precise characterization of the conditions for learning is still lacking. In this paper, we fill this gap by presenting necessary and sufficient conditions for learning the underlying signal model needed for reconstruction which indicate the interplay between the number of distinct measurement operators, the number of measurements per operator, the dimension of the model and the dimension of the signals. Furthermore, we propose a novel and conceptually simple unsupervised learning loss which only requires access to incomplete measurement data and achieves a performance on par with supervised learning when the sufficient condition is verified. We validate our theoretical bounds and demonstrate the advantages of the proposed unsupervised loss compared to previous methods via a series of experiments on various imaging inverse problems, such as accelerated magnetic resonance imaging, compressed sensing and image inpainting.  ( 3 min )

A zero-shot RL agent is an agent that can solve any RL task in a given environment, instantly with no additional planning or learning, after an initial reward-free learning phase. This marks a shift from the reward-centric RL paradigm towards "controllable" agents that can follow arbitrary instructions in an environment. Current RL agents can solve families of related tasks at best, or require planning anew for each task. Strategies for approximate zero-shot RL ave been suggested using successor features (SFs) [BBQ+ 18] or forward-backward (FB) representations [TO21], but testing has been limited. After clarifying the relationships between these schemes, we introduce improved losses and new SF models, and test the viability of zero-shot RL schemes systematically on tasks from the Unsupervised RL benchmark [LYL+21]. To disentangle universal representation learning from exploration, we work in an offline setting and repeat the tests on several existing replay buffers. SFs appear to suffer from the choice of the elementary state features. SFs with Laplacian eigenfunctions do well, while SFs based on auto-encoders, inverse curiosity, transition models, low-rank transition matrix, contrastive learning, or diversity (APS), perform unconsistently. In contrast, FB representations jointly learn the elementary and successor features from a single, principled criterion. They perform best and consistently across the board, reaching 85% of supervised RL performance with a good replay buffer, in a zero-shot manner.  ( 2 min )

When implementing the gradient descent method in low precision, the employment of stochastic rounding schemes helps to prevent stagnation of convergence caused by the vanishing gradient effect. Unbiased stochastic rounding yields zero bias by preserving small updates with probabilities proportional to their relative magnitudes. This study provides a theoretical explanation for the stagnation of the gradient descent method in low-precision computation. Additionally, we propose two new stochastic rounding schemes that trade the zero bias property with a larger probability to preserve small gradients. Our methods yield a constant rounding bias that, on average, lies in a descent direction. For convex problems, we prove that the proposed rounding methods typically have a beneficial effect on the convergence rate of gradient descent. We validate our theoretical analysis by comparing the performances of various rounding schemes when optimizing a multinomial logistic regression model and when training a simple neural network with an 8-bit floating-point format.  ( 2 min )

We consider learning causal relationships under conditional moment restrictions. Unlike causal inference under unconditional moment restrictions, conditional moment restrictions pose serious challenges for causal inference, especially in high-dimensional settings. To address this issue, we propose a method that transforms conditional moment restrictions to unconditional moment restrictions through importance weighting, using a conditional density ratio estimator. Using this transformation, we successfully estimate nonparametric functions defined under conditional moment restrictions. Our proposed framework is general and can be applied to a wide range of methods, including neural networks. We analyze the estimation error, providing theoretical support for our proposed method. In experiments, we confirm the soundness of our proposed method.  ( 2 min )

Noninvasive medical neuroimaging has yielded many discoveries about the brain connectivity. Several substantial techniques mapping morphological, structural and functional brain connectivities were developed to create a comprehensive road map of neuronal activities in the human brain -namely brain graph. Relying on its non-Euclidean data type, graph neural network (GNN) provides a clever way of learning the deep graph structure and it is rapidly becoming the state-of-the-art leading to enhanced performance in various network neuroscience tasks. Here we review current GNN-based methods, highlighting the ways that they have been used in several applications related to brain graphs such as missing brain graph synthesis and disease classification. We conclude by charting a path toward a better application of GNN models in network neuroscience field for neurological disorder diagnosis and population graph integration. The list of papers cited in our work is available at https://github.com/basiralab/GNNs-in-Network-Neuroscience.  ( 2 min )

While the empirical success of self-supervised learning (SSL) heavily relies on the usage of deep nonlinear models, existing theoretical works on SSL understanding still focus on linear ones. In this paper, we study the role of nonlinearity in the training dynamics of contrastive learning (CL) on one and two-layer nonlinear networks with homogeneous activation $h(x) = h'(x)x$. We have two major theoretical discoveries. First, the presence of nonlinearity can lead to many local optima even in 1-layer setting, each corresponding to certain patterns from the data distribution, while with linear activation, only one major pattern can be learned. This suggests that models with lots of parameters can be regarded as a \emph{brute-force} way to find these local optima induced by nonlinearity. Second, in the 2-layer case, linear activation is proven not capable of learning specialized weights into diverse patterns, demonstrating the importance of nonlinearity. In addition, for 2-layer setting, we also discover \emph{global modulation}: those local patterns discriminative from the perspective of global-level patterns are prioritized to learn, further characterizing the learning process. Simulation verifies our theoretical findings.

Global pooling is one of the most significant operations in many machine learning models and tasks, whose implementation, however, is often empirical in practice. In this study, we develop a novel and solid global pooling framework through the lens of optimal transport. We demonstrate that most existing global pooling methods are equivalent to solving some specializations of an unbalanced optimal transport (UOT) problem. Making the parameters of the UOT problem learnable, we unify various global pooling methods in the same framework, and accordingly, propose a generalized global pooling layer called UOT-Pooling (UOTP) for neural networks. Besides implementing the UOTP layer based on the classic Sinkhorn-scaling algorithm, we design a new model architecture based on the Bregman ADMM algorithm, which has better numerical stability and can reproduce existing pooling layers more effectively. We test our UOTP layers in several application scenarios, including multi-instance learning, graph classification, and image classification. Our UOTP layers can either imitate conventional global pooling layers or learn some new pooling mechanisms leading to better performance.

Generative deep neural networks used in machine learning, like the Variational Auto-Encoders (VAE), and Generative Adversarial Networks (GANs) produce new objects each time when asked to do so with the constraint that the new objects remain similar to some list of examples given as input. However, this behavior is unlike that of human artists that change their style as time goes by and seldom return to the style of the initial creations. We investigate a situation where VAEs are used to sample from a probability measure described by some empirical dataset. Based on recent works on Radon-Sobolev statistical distances, we propose a numerical paradigm, to be used in conjunction with a generative algorithm, that satisfies the two following requirements: the objects created do not repeat and evolve to fill the entire target probability distribution.

Recent years have seen the advent of molecular simulation datasets that are orders of magnitude larger and more diverse. These new datasets differ substantially in four aspects of complexity: 1. Chemical diversity (number of different elements), 2. system size (number of atoms per sample), 3. dataset size (number of data samples), and 4. domain shift (similarity of the training and test set). Despite these large differences, benchmarks on small and narrow datasets remain the predominant method of demonstrating progress in graph neural networks (GNNs) for molecular simulation, likely due to cheaper training compute requirements. This raises the question -- does GNN progress on small and narrow datasets translate to these more complex datasets? This work investigates this question by first developing the GemNet-OC model based on the large Open Catalyst 2020 (OC20) dataset. GemNet-OC outperforms the previous state-of-the-art on OC20 by 16% while reducing training time by a factor of 10. We then compare the impact of 18 model components and hyperparameter choices on performance in multiple datasets. We find that the resulting model would be drastically different depending on the dataset used for making model choices. To isolate the source of this discrepancy we study six subsets of the OC20 dataset that individually test each of the above-mentioned four dataset aspects. We find that results on the OC-2M subset correlate well with the full OC20 dataset while being substantially cheaper to train on. Our findings challenge the common practice of developing GNNs solely on small datasets, but highlight ways of achieving fast development cycles and generalizable results via moderately-sized, representative datasets such as OC-2M and efficient models such as GemNet-OC. Our code and pretrained model weights are open-sourced.

Graph neural networks (GNNs) provide powerful insights for brain neuroimaging technology from the view of graphical networks. However, most existing GNN-based models assume that the neuroimaging-produced brain connectome network is a homogeneous graph with single types of nodes and edges. In fact, emerging studies have reported and emphasized the significance of heterogeneity among human brain activities, especially between the two cerebral hemispheres. Thus, homogeneous-structured brain network-based graph methods are insufficient for modelling complicated cerebral activity states. To overcome this problem, in this paper, we present a heterogeneous graph neural network (HebrainGNN) for multimodal brain neuroimaging fusion learning. We first model the brain network as a heterogeneous graph with multitype nodes (i.e., left and right hemispheric nodes) and multitype edges (i.e., intra- and interhemispheric edges). Then, we propose a self-supervised pretraining strategy based on a heterogeneous brain network to address the potential overfitting problem caused by the conflict between a large parameter size and a small medical data sample size. Our results show the superiority of the proposed model over other existing methods in brain-related disease prediction tasks. Ablation experiments show that our heterogeneous graph-based model attaches more importance to hemispheric connections that may be neglected due to their low strength by previous homogeneous graph models. Other experiments also indicate that our proposed model with a pretraining strategy alleviates the problem of limited labelled data and yields a significant improvement in accuracy.

In equivariant machine learning the idea is to restrict the learning to a hypothesis class where all the functions are equivariant with respect to some group action. Irreducible representations or invariant theory are typically used to parameterize the space of such functions. In this note, we explicate a general procedure, attributed to Malgrange, to express all polynomial maps between linear spaces that are equivariant with respect to the action of a group $G$, given a characterization of the invariant polynomials on a bigger space. The method also parametrizes smooth equivariant maps in the case that $G$ is a compact Lie group.

Directed acyclic graphs (DAGs) encode a lot of information about a particular distribution in its structure. However, compute required to infer these structures is typically super-exponential in the number of variables, as inference requires a sweep of a combinatorially large space of potential structures. That is, until recent advances made it possible to search this space using a differentiable metric, drastically reducing search time. While this technique -- named NOTEARS -- is widely considered a seminal work in DAG-discovery, it concedes an important property in favour of differentiability: transportability. To be transportable, the structures discovered on one dataset must apply to another dataset from the same domain. In our paper, we introduce D-Struct which recovers transportability in the discovered structures through a novel architecture and loss function, while remaining completely differentiable. Because D-Struct remains differentiable, our method can be easily adopted in existing differentiable architectures, as was previously done with NOTEARS. In our experiments, we empirically validate D-Struct with respect to edge accuracy and structural Hamming distance in a variety of settings.

Learning visual representations from natural language supervision has recently shown great promise in a number of pioneering works. In general, these language-augmented visual models demonstrate strong transferability to a variety of datasets and tasks. However, it remains challenging to evaluate the transferablity of these models due to the lack of easy-to-use evaluation toolkits and public benchmarks. To tackle this, we build ELEVATER (Evaluation of Language-augmented Visual Task-level Transfer), the first benchmark and toolkit for evaluating(pre-trained) language-augmented visual models. ELEVATER is composed of three components. (i) Datasets. As downstream evaluation suites, it consists of 20 image classification datasets and 35 object detection datasets, each of which is augmented with external knowledge. (ii) Toolkit. An automatic hyper-parameter tuning toolkit is developed to facilitate model evaluation on downstream tasks. (iii) Metrics. A variety of evaluation metrics are used to measure sample-efficiency (zero-shot and few-shot) and parameter-efficiency (linear probing and full model fine-tuning). ELEVATER is a platform for Computer Vision in the Wild (CVinW), and is publicly released at at https://computer-vision-in-the-wild.github.io/ELEVATER/

It is well-known that a deep neural network has a strong fitting capability and can easily achieve a low training error even with randomly assigned class labels. When the number of training samples is small, or the class labels are noisy, networks tend to memorize patterns specific to individual instances to minimize the training error. This leads to the issue of overfitting and poor generalisation performance. This paper explores a remedy by suppressing the network's tendency to rely on instance-specific patterns for empirical error minimisation. The proposed method is based on an adversarial training framework. It suppresses features that can be utilized to identify individual instances among samples within each class. This leads to classifiers only using features that are both discriminative across classes and common within each class. We call our method Adversarial Suppression of Identity Features (ASIF), and demonstrate the usefulness of this technique in boosting generalisation accuracy when faced with small datasets or noisy labels. Our source code is available.

It is well-known that for sparse linear bandits, when ignoring the dependency on sparsity which is much smaller than the ambient dimension, the worst-case minimax regret is $\widetilde{\Theta}\left(\sqrt{dT}\right)$ where $d$ is the ambient dimension and $T$ is the number of rounds. On the other hand, in the benign setting where there is no noise and the action set is the unit sphere, one can use divide-and-conquer to achieve $\widetilde{\mathcal O}(1)$ regret, which is (nearly) independent of $d$ and $T$. In this paper, we present the first variance-aware regret guarantee for sparse linear bandits: $\widetilde{\mathcal O}\left(\sqrt{d\sum_{t=1}^T \sigma_t^2} + 1\right)$, where $\sigma_t^2$ is the variance of the noise at the $t$-th round. This bound naturally interpolates the regret bounds for the worst-case constant-variance regime (i.e., $\sigma_t \equiv \Omega(1)$) and the benign deterministic regimes (i.e., $\sigma_t \equiv 0$). To achieve this variance-aware regret guarantee, we develop a general framework that converts any variance-aware linear bandit algorithm to a variance-aware algorithm for sparse linear bandits in a "black-box" manner. Specifically, we take two recent algorithms as black boxes to illustrate that the claimed bounds indeed hold, where the first algorithm can handle unknown-variance cases and the second one is more efficient.

Automated disease detection in neuroimaging holds promise to improve the diagnostic ability of radiologists, but routinely collected clinical data frequently contains technical and demographic confounding factors that cause data to both differ between sites and be systematically associated with the disease of interest, thus negatively affecting the robustness of diagnostic models. There is a critical need for diagnostic deep learning models that can train on such imbalanced datasets without being influenced by these confounds. In this work, we introduce a novel deep learning architecture, MUCRAN (Multi-Confound Regression Adversarial Network), to train a deep learning model on clinical brain MRI while regressing demographic and technical confounding factors. We trained MUCRAN using 17,076 clinical T1 Axial brain MRIs collected from Massachusetts General Hospital before 2019 and demonstrated that MUCRAN could successfully regress major confounding factors in the vast clinical data. We also applied a method for quantifying uncertainty across an ensemble of these models to automatically exclude out-of-distribution data in the AD detection. By combining MUCRAN and the uncertainty quantification method, we showed consistent and significant increases in the AD detection accuracy for newly collected MGH data (post-2019) and for data from other hospitals. MUCRAN offers a generalizable approach for heterogenous clinical data for deep-learning-based automatic disease detection.

Generating realistic motions for digital humans is time-consuming for many graphics applications. Data-driven motion synthesis approaches have seen solid progress in recent years through deep generative models. These results offer high-quality motions but typically suffer in motion style diversity. For the first time, we propose a framework using the denoising diffusion probabilistic model (DDPM) to synthesize styled human motions, integrating two tasks into one pipeline with increased style diversity compared with traditional motion synthesis methods. Experimental results show that our system can generate high-quality and diverse walking motions.

Effective data-driven PDE forecasting methods often rely on fixed spatial and / or temporal discretizations. This raises limitations in real-world applications like weather prediction where flexible extrapolation at arbitrary spatiotemporal locations is required. We address this problem by introducing a new data-driven approach, DINo, that models a PDE's flow with continuous-time dynamics of spatially continuous functions. This is achieved by embedding spatial observations independently of their discretization via Implicit Neural Representations in a small latent space temporally driven by a learned ODE. This separate and flexible treatment of time and space makes DINo the first data-driven model to combine the following advantages. It extrapolates at arbitrary spatial and temporal locations; it can learn from sparse irregular grids or manifolds; at test time, it generalizes to new grids or resolutions. DINo outperforms alternative neural PDE forecasters in a variety of challenging generalization scenarios on representative PDE systems.

Sharing medical datasets between hospitals is challenging because of the privacy-protection problem and the massive cost of transmitting and storing many high-resolution medical images. However, dataset distillation can synthesize a small dataset such that models trained on it achieve comparable performance with the original large dataset, which shows potential for solving the existing medical sharing problems. Hence, this paper proposes a novel dataset distillation-based method for medical dataset sharing. Experimental results on a COVID-19 chest X-ray image dataset show that our method can achieve high detection performance even using scarce anonymized chest X-ray images.

Quantum neural networks (QNNs) have emerged as a leading strategy to establish applications in machine learning, chemistry, and optimization. While the applications of QNN have been widely investigated, its theoretical foundation remains less understood. In this paper, we formulate a theoretical framework for the expressive ability of data re-uploading quantum neural networks that consist of interleaved encoding circuit blocks and trainable circuit blocks. First, we prove that single-qubit quantum neural networks can approximate any univariate function by mapping the model to a partial Fourier series. We in particular establish the exact correlations between the parameters of the trainable gates and the Fourier coefficients, resolving an open problem on the universal approximation property of QNN. Second, we discuss the limitations of single-qubit native QNNs on approximating multivariate functions by analyzing the frequency spectrum and the flexibility of Fourier coefficients. We further demonstrate the expressivity and limitations of single-qubit native QNNs via numerical experiments. We believe these results would improve our understanding of QNNs and provide a helpful guideline for designing powerful QNNs for machine learning tasks.

We study the survival bandit problem, a variant of the multi-armed bandit problem introduced in an open problem by Perotto et al. (2019), with a constraint on the cumulative reward; at each time step, the agent receives a (possibly negative) reward and if the cumulative reward becomes lower than a prespecified threshold, the procedure stops, and this phenomenon is called ruin. This is the first paper studying a framework where the ruin might occur but not always. We first discuss that a sublinear regret is unachievable under a naive definition of the regret. Next, we provide tight lower bounds on the probability of ruin (as well as matching policies). Based on this lower bound, we define the survival regret as an objective to minimize and provide a policy achieving a sublinear survival regret (at least in the case of integral rewards) when the time horizon $T$ is known.

Calibration is defined as the ratio of the average predicted click rate to the true click rate. The optimization of calibration is essential to many online advertising recommendation systems because it directly affects the downstream bids in ads auctions and the amount of money charged to advertisers. Despite its importance, calibration optimization often suffers from a problem called "maximization bias". Maximization bias refers to the phenomenon that the maximum of predicted values overestimates the true maximum. The problem is introduced because the calibration is computed on the set selected by the prediction model itself. It persists even if unbiased predictions can be achieved on every datapoint and worsens when covariate shifts exist between the training and test sets. To mitigate this problem, we theorize the quantification of maximization bias and propose a variance-adjusting debiasing (VAD) meta-algorithm in this paper. The algorithm is efficient, robust, and practical as it is able to mitigate maximization bias problems under covariate shifts, neither incurring additional online serving costs nor compromising the ranking performance. We demonstrate the effectiveness of the proposed algorithm using a state-of-the-art recommendation neural network model on a large-scale real-world dataset.

This work is on training a generative action/video recognition model whose output is a free-form action-specific caption describing the video (rather than an action class label). A generative approach has practical advantages like producing more fine-grained and human-readable output, and being naturally open-world. To this end, we propose to adapt a pre-trained generative Vision & Language (V&L) Foundation Model for video/action recognition. While recently there have been a few attempts to adapt V&L models trained with contrastive learning (e.g. CLIP) for video/action, to the best of our knowledge, we propose the very first method that sets outs to accomplish this goal for a generative model. We firstly show that direct fine-tuning of a generative model to produce action classes suffers from severe overfitting. To alleviate this, we introduce REST, a training framework consisting of two key components: an unsupervised method for adapting the generative model to action/video by means of pseudo-caption generation and Self-training, i.e. without using any action-specific labels; (b) a Retrieval approach based on CLIP for discovering a diverse set of pseudo-captions for each video to train the model. Importantly, we show that both components are necessary to obtain high accuracy. We evaluate REST on the problem of zero-shot action recognition where we show that our approach is very competitive when compared to contrastive learning-based methods. Code will be made available.

Recent years have witnessed the proliferation of offensive content online such as fake news, propaganda, misinformation, and disinformation. While initially this was mostly about textual content, over time images and videos gained popularity, as they are much easier to consume, attract more attention, and spread further than text. As a result, researchers started leveraging different modalities and combinations thereof to tackle online multimodal offensive content. In this study, we offer a survey on the state-of-the-art on multimodal disinformation detection covering various combinations of modalities: text, images, speech, video, social media network structure, and temporal information. Moreover, while some studies focused on factuality, others investigated how harmful the content is. While these two components in the definition of disinformation (i) factuality, and (ii) harmfulness, are equally important, they are typically studied in isolation. Thus, we argue for the need to tackle disinformation detection by taking into account multiple modalities as well as both factuality and harmfulness, in the same framework. Finally, we discuss current challenges and future research directions

Humans are skillful navigators: We aptly maneuver through new places, realize when we are back at a location we have seen before, and can even conceive of shortcuts that go through parts of our environments we have never visited. Current methods in model-based reinforcement learning on the other hand struggle with generalizing about environment dynamics out of the training distribution. We argue that two principles can help bridge this gap: latent learning and parsimonious dynamics. Humans tend to think about environment dynamics in simple terms -- we reason about trajectories not in reference to what we expect to see along a path, but rather in an abstract latent space, containing information about the places' spatial coordinates. Moreover, we assume that moving around in novel parts of our environment works the same way as in parts we are familiar with. These two principles work together in tandem: it is in the latent space that the dynamics show parsimonious characteristics. We develop a model that learns such parsimonious dynamics. Using a variational objective, our model is trained to reconstruct experienced transitions in a latent space using locally linear transformations, while encouraged to invoke as few distinct transformations as possible. Using our framework, we demonstrate the utility of learning parsimonious latent dynamics models in a range of policy learning and planning tasks.

The Plug-and-Play (PnP) framework makes it possible to integrate advanced image denoising priors into optimization algorithms, to efficiently solve a variety of image restoration tasks generally formulated as Maximum A Posteriori (MAP) estimation problems. The Plug-and-Play alternating direction method of multipliers (ADMM) and the Regularization by Denoising (RED) algorithms are two examples of such methods that made a breakthrough in image restoration. However, while the former method only applies to proximal algorithms, it has recently been shown that there exists no regularization that explains the RED algorithm when the denoisers lack Jacobian symmetry, which happen to be the case of most practical denoisers. To the best of our knowledge, there exists no method for training a network that directly represents the gradient of a regularizer, which can be directly used in Plug-and-Play gradient-based algorithms. We show that it is possible to train a network directly modeling the gradient of a MAP regularizer while jointly training the corresponding MAP denoiser. We use this network in gradient-based optimization methods and obtain better results comparing to other generic Plug-and-Play approaches. We also show that the regularizer can be used as a pre-trained network for unrolled gradient descent. Lastly, we show that the resulting denoiser allows for a better convergence of the Plug-and-Play ADMM.

Detecting anomalies and the corresponding root causes in multivariate time series plays an important role in monitoring the behaviors of various real-world systems, e.g., IT system operations or manufacturing industry. Previous anomaly detection approaches model the joint distribution without considering the underlying mechanism of multivariate time series, making them computationally hungry and hard to identify root causes. In this paper, we formulate the anomaly detection problem from a causal perspective and view anomalies as instances that do not follow the regular causal mechanism to generate the multivariate data. We then propose a causality-based framework for detecting anomalies and root causes. It first learns the causal structure from data and then infers whether an instance is an anomaly relative to the local causal mechanism whose conditional distribution can be directly estimated from data. In light of the modularity property of causal systems (the causal processes to generate different variables are irrelevant modules), the original problem is divided into a series of separate, simpler, and low-dimensional anomaly detection problems so that where an anomaly happens (root causes) can be directly identified. We evaluate our approach with both simulated and public datasets as well as a case study on real-world AIOps applications, showing its efficacy, robustness, and practical feasibility.

Decentralized learning algorithms enable the training of deep learning models over large distributed datasets generated at different devices and locations, without the need for a central server. In practical scenarios, the distributed datasets can have significantly different data distributions across the agents. The current state-of-the-art decentralized algorithms mostly assume the data distributions to be Independent and Identically Distributed (IID). This paper focuses on improving decentralized learning over non-IID data distributions with minimal compute and memory overheads. We propose Neighborhood Gradient Clustering (NGC), a novel decentralized learning algorithm that modifies the local gradients of each agent using self- and cross-gradient information. In particular, the proposed method replaces the local gradients of the model with the weighted mean of the self-gradients, model-variant cross-gradients (derivatives of the received neighbors' model parameters with respect to the local dataset), and data-variant cross-gradients (derivatives of the local model with respect to its neighbors' datasets). Further, we present CompNGC, a compressed version of NGC that reduces the communication overhead by $32 \times$ by compressing the cross-gradients. We demonstrate the empirical convergence and efficiency of the proposed technique over non-IID data distributions sampled from the CIFAR-10 dataset on various model architectures and graph topologies. Our experiments demonstrate that NGC and CompNGC outperform the existing state-of-the-art (SoTA) decentralized learning algorithm over non-IID data by $1-5\%$ with significantly less compute and memory requirements. Further, we also show that the proposed NGC method outperforms the baseline by $5-40\%$ with no additional communication.

A Transformer-based deep direct sampling method is proposed for solving a class of boundary value inverse problem. A real-time reconstruction is achieved by evaluating the learned inverse operator between carefully designed data and the reconstructed images. An effort is made to give a case study for a fundamental and critical question: whether and how one can benefit from the theoretical structure of a mathematical problem to develop task-oriented and structure-conforming deep neural network? Inspired by direct sampling methods for inverse problems, the 1D boundary data are preprocessed by a partial differential equation-based feature map to yield 2D harmonic extensions in different frequency input channels. Then, by introducing learnable non-local kernel, the approximation of direct sampling is recast to a modified attention mechanism. The proposed method is then applied to electrical impedance tomography, a well-known severely ill-posed nonlinear inverse problem. The new method achieves superior accuracy over its predecessors and contemporary operator learners, as well as shows robustness with respect to noise. This research shall strengthen the insights that the attention mechanism, despite being invented for natural language processing tasks, offers great flexibility to be modified in conformity with the a priori mathematical knowledge, which ultimately leads to the design of more physics-compatible neural architectures.

SHAP explanations aim at identifying which features contribute the most to the difference in model prediction at a specific input versus a background distribution. Recent studies have shown that they can be manipulated by malicious adversaries to produce arbitrary desired explanations. However, existing attacks focus solely on altering the black-box model itself. In this paper, we propose a complementary family of attacks that leave the model intact and manipulate SHAP explanations using stealthily biased sampling of the data points used to approximate expectations w.r.t the background distribution. In the context of fairness audit, we show that our attack can reduce the importance of a sensitive feature when explaining the difference in outcomes between groups while remaining undetected. These results highlight the manipulability of SHAP explanations and encourage auditors to treat them with skepticism.

There has been growing interest in generalization performance of large multilayer neural networks that can be trained to achieve zero training error, while generalizing well on test data. This regime is known as 'second descent' and it appears to contradict the conventional view that optimal model complexity should reflect an optimal balance between underfitting and overfitting, i.e., the bias-variance trade-off. This paper presents a VC-theoretical analysis of double descent and shows that it can be fully explained by classical VC-generalization bounds. We illustrate an application of analytic VC-bounds for modeling double descent for classification, using empirical results for several learning methods, such as SVM, Least Squares, and Multilayer Perceptron classifiers. In addition, we discuss several reasons for the misinterpretation of VC-theoretical results in Deep Learning community.

The presence of snow and ice on runway surfaces reduces the available tire-pavement friction needed for retardation and directional control and causes potential economic and safety threats for the aviation industry during the winter seasons. To activate appropriate safety procedures, pilots need accurate and timely information on the actual runway surface conditions. In this study, XGBoost is used to create a combined runway assessment system, which includes a classification model to identify slippery conditions and a regression model to predict the level of slipperiness. The models are trained on weather data and runway reports. The runway surface conditions are represented by the tire-pavement friction coefficient, which is estimated from flight sensor data from landing aircrafts. The XGBoost models are combined with SHAP approximations to provide a reliable decision support system for airport operators, which can contribute to safer and more economic operations of airport runways. To evaluate the performance of the prediction models, they are compared to several state-of-the-art runway assessment methods. The XGBoost models identify slippery runway conditions with a ROC AUC of 0.95, predict the friction coefficient with a MAE of 0.0254, and outperforms all the previous methods. The results show the strong abilities of machine learning methods to model complex, physical phenomena with a good accuracy. Published version: https://doi.org/10.1016/j.coldregions.2022.103556.

We investigate the combinatorics of max-pooling layers, which are functions that downsample input arrays by taking the maximum over shifted windows of input coordinates, and which are commonly used in convolutional neural networks. We obtain results on the number of linearity regions of these functions by equivalently counting the number of vertices of certain Minkowski sums of simplices. We characterize the faces of such polytopes and obtain generating functions and closed formulas for the number of vertices and facets in a 1D max-pooling layer depending on the size of the pooling windows and stride, and for the number of vertices in a special case of 2D max-pooling.

Transformers are quickly becoming one of the most heavily applied deep learning architectures across modalities, domains, and tasks. In vision, on top of ongoing efforts into plain transformers, hierarchical transformers have also gained significant attention, thanks to their performance and easy integration into existing frameworks. These models typically employ localized attention mechanisms, such as the sliding-window Neighborhood Attention (NA) or Swin Transformer's Shifted Window Self Attention. While effective at reducing self attention's quadratic complexity, local attention weakens two of the most desirable properties of self attention: long range inter-dependency modeling, and global receptive field. In this paper, we introduce Dilated Neighborhood Attention (DiNA), a natural, flexible and efficient extension to NA that can capture more global context and expand receptive fields exponentially at no additional cost. NA's local attention and DiNA's sparse global attention complement each other, and therefore we introduce Dilated Neighborhood Attention Transformer (DiNAT), a new hierarchical vision transformer built upon both. DiNAT variants enjoy significant improvements over attention-based baselines such as NAT and Swin, as well as modern convolutional baseline ConvNeXt. Our Large model is ahead of its Swin counterpart by 1.5% box AP in COCO object detection, 1.3% mask AP in COCO instance segmentation, and 1.1% mIoU in ADE20K semantic segmentation, and faster in throughput. We believe combinations of NA and DiNA have the potential to empower various tasks beyond those presented in this paper. To support and encourage research in this direction, in vision and beyond, we open-source our project at: https://github.com/SHI-Labs/Neighborhood-Attention-Transformer.

How can we design protein sequences folding into the desired structures effectively and efficiently? Structure-based protein design has attracted increasing attention in recent years; however, few methods can simultaneously improve the accuracy and efficiency due to the lack of expressive features and autoregressive sequence decoder. To address these issues, we propose PiFold, which contains a novel residue featurizer and PiGNN layers to generate protein sequences in a one-shot way with improved recovery. Experiments show that PiFold could achieve 51.66\% recovery on CATH 4.2, while the inference speed is 70 times faster than the autoregressive competitors. In addition, PiFold achieves 58.72\% and 60.42\% recovery scores on TS50 and TS500, respectively. We conduct comprehensive ablation studies to reveal the role of different types of protein features and model designs, inspiring further simplification and improvement.

This work studies the problem of transfer learning under the functional linear model framework, which aims to improve the fit of the target model by leveraging the knowledge from related source models. We measure the relatedness between target and source models using Reproducing Kernel Hilbert Spaces, allowing the type of knowledge being transferred to be interpreted by the structure of the spaces. Two algorithms are proposed: one transfers knowledge when the index of transferable sources is known, while the other one utilizes aggregation to achieve knowledge transfer without prior information about the sources. Furthermore, we establish the optimal convergence rates for excess risk, making the statistical gain via transfer learning mathematically provable. The effectiveness of the proposed algorithms is demonstrated on synthetic data as well as real financial data.

Despite their ability to represent highly expressive functions, deep learning models seem to find simple solutions that generalize surprisingly well. Spectral bias -- the tendency of neural networks to prioritize learning low frequency functions -- is one possible explanation for this phenomenon, but so far spectral bias has primarily been observed in theoretical models and simplified experiments. In this work, we propose methodologies for measuring spectral bias in modern image classification networks on CIFAR-10 and ImageNet. We find that these networks indeed exhibit spectral bias, and that interventions that improve test accuracy on CIFAR-10 tend to produce learned functions that have higher frequencies overall but lower frequencies in the vicinity of examples from each class. This trend holds across variation in training time, model architecture, number of training examples, data augmentation, and self-distillation. We also explore the connections between function frequency and image frequency and find that spectral bias is sensitive to the low frequencies prevalent in natural images. On ImageNet, we find that learned function frequency also varies with internal class diversity, with higher frequencies on more diverse classes. Our work enables measuring and ultimately influencing the spectral behavior of neural networks used for image classification, and is a step towards understanding why deep models generalize well.

The objective of this paper is to investigate the ability of physics-informed neural networks to learn the magnetic field response as a function of design parameters in the context of a two-dimensional (2-D) magnetostatic problem. Our approach is as follows. First, we present a functional whose minimization is equivalent to solving parametric magnetostatic problems. Subsequently, we use a deep neural network (DNN) to represent the magnetic field as a function of space and parameters that describe geometric features and operating points. We train the DNN by minimizing the physics-informed functional using stochastic gradient descent. Lastly, we demonstrate our approach on a \mbox{ten-dimensional} EI-core electromagnet problem with parameterized geometry. We evaluate the accuracy of the DNN by comparing its predictions to those of finite element analysis.

A new index for internal evaluation of clustering is introduced. The index is defined as a mixture of two sub-indices. The first sub-index $ I_a $ is called the Ambiguous Index; the second sub-index $ I_s $ is called the Similarity Index. Calculation of the two sub-indices is based on density estimation to each cluster of a partition of the data. An experiment is conducted to test the performance of the new index, and compared with six other internal clustering evaluation indices -- Calinski-Harabasz index, Silhouette coefficient, Davies-Bouldin index, CDbw, DBCV, and VIASCKDE, on a set of 145 datasets. The result shows the new index significantly improves other internal clustering evaluation indices.

Why do brains have inhibitory connections? Neuroscientists may answer: to balance excitatory connections, to memorize, to decide, to avoid constant seizure, and many more. There seem to be many function-specific stories for the necessity of inhibitory connections. However, in its most general form, there lacks a theoretical result on why brains have inhibitory connections. Leveraging deep neural networks (DNNs), a well-established model for the brain, we ask: why do networks have negative weights? Our answer is: to learn more functions. We prove that, in the absence of negative weights, neural networks are \textit{not} universal approximators. Further, we provide insights on the geometric properties of the representation space that non-negative DNNs cannot represent. While this may be an intuitive result, to the best of our knowledge, there is no formal theory, in neither machine learning nor neuroscience literature, that demonstrates \textit{why} negative weights are crucial in the context of representation capacity. Our result provides the first theoretical justification on why inhibitory connections in brains and negative weights in DNNs are important for networks to represent all functions.

Federated learning (FL) has recently gained considerable attention due to its ability to learn on decentralised data while preserving client privacy. However, it also poses additional challenges related to the heterogeneity of the participating devices, both in terms of their computational capabilities and contributed data. Meanwhile, Neural Architecture Search (NAS) has been successfully used with centralised datasets, producing state-of-the-art results in constrained or unconstrained settings. However, such centralised datasets may not be always available for training. Most recent work at the intersection of NAS and FL attempts to alleviate this issue in a cross-silo federated setting, which assumes homogeneous compute environments with datacenter-grade hardware. In this paper we explore the question of whether we can design architectures of different footprints in a cross-device federated setting, where the device landscape, availability and scale are very different. To this end, we design our system, FedorAS, to discover and train promising architectures in a resource-aware manner when dealing with devices of varying capabilities holding non-IID distributed data. We present empirical evidence of its effectiveness across different settings, spanning across three different modalities (vision, speech, text), and showcase its better performance compared to state-of-the-art federated solutions, while maintaining resource efficiency.

We develop ShiftMatch, a new training-data-dependent likelihood for robustness to corruption in Bayesian neural networks (BNNs). ShiftMatch is inspired by the training-data-dependent "EmpCov" priors from Izmailov et al. (2021a), and efficiently matches test-time spatial correlations to those at training time. Critically, ShiftMatch is designed to leave the neural network's training time likelihood unchanged, allowing it to use publicly available samples from pre-trained BNNs. Using pre-trained HMC samples, ShiftMatch gives strong performance improvements on CIFAR-10-C, outperforms EmpCov priors (though ShiftMatch uses extra information from a minibatch of corrupted test points), and is perhaps the first Bayesian method capable of convincingly outperforming plain deep ensembles.

Deep reinforcement learning policies, despite their outstanding efficiency in simulated visual control tasks, have shown disappointing ability to generalize across disturbances in the input training images. Changes in image statistics or distracting background elements are pitfalls that prevent generalization and real-world applicability of such control policies. We elaborate on the intuition that a good visual policy should be able to identify which pixels are important for its decision, and preserve this identification of important sources of information across images. This implies that training of a policy with small generalization gap should focus on such important pixels and ignore the others. This leads to the introduction of saliency-guided Q-networks (SGQN), a generic method for visual reinforcement learning, that is compatible with any value function learning method. SGQN vastly improves the generalization capability of Soft Actor-Critic agents and outperforms existing stateof-the-art methods on the Deepmind Control Generalization benchmark, setting a new reference in terms of training efficiency, generalization gap, and policy interpretability.

We consider the distributed stochastic optimization problem where $n$ agents want to minimize a global function given by the sum of agents' local functions, and focus on the heterogeneous setting when agents' local functions are defined over non-i.i.d. data sets. We study the Local SGD method, where agents perform a number of local stochastic gradient steps and occasionally communicate with a central node to improve their local optimization tasks. We analyze the effect of local steps on the convergence rate and the communication complexity of Local SGD. In particular, instead of assuming a fixed number of local steps across all communication rounds, we allow the number of local steps during the $i$-th communication round, $H_i$, to be different and arbitrary numbers. Our main contribution is to characterize the convergence rate of Local SGD as a function of $\{H_i\}_{i=1}^R$ under various settings of strongly convex, convex, and nonconvex local functions, where $R$ is the total number of communication rounds. Based on this characterization, we provide sufficient conditions on the sequence $\{H_i\}_{i=1}^R$ such that Local SGD can achieve linear speed-up with respect to the number of workers. Furthermore, we propose a new communication strategy with increasing local steps superior to existing communication strategies for strongly convex local functions. On the other hand, for convex and nonconvex local functions, we argue that fixed local steps are the best communication strategy for Local SGD and recover state-of-the-art convergence rate results. Finally, we justify our theoretical results through extensive numerical experiments.

Recently, diffusion model have demonstrated impressive image generation performances, and have been extensively studied in various computer vision tasks. Unfortunately, training and evaluating diffusion models consume a lot of time and computational resources. To address this problem, here we present a novel pyramidal diffusion model that can generate high resolution images starting from much coarser resolution images using a {\em single} score function trained with a positional embedding. This enables a neural network to be much lighter and also enables time-efficient image generation without compromising its performances. Furthermore, we show that the proposed approach can be also efficiently used for multi-scale super-resolution problem using a single score function.

The fundamental goal of self-supervised learning (SSL) is to produce useful representations of data without access to any labels for classifying the data. Modern methods in SSL, which form representations based on known or constructed relationships between samples, have been particularly effective at this task. Here, we aim to extend this framework to incorporate algorithms based on kernel methods where embeddings are constructed by linear maps acting on the feature space of a kernel. In this kernel regime, we derive methods to find the optimal form of the output representations for contrastive and non-contrastive loss functions. This procedure produces a new representation space with an inner product denoted as the induced kernel which generally correlates points which are related by an augmentation in kernel space and de-correlates points otherwise. We analyze our kernel model on small datasets to identify common features of self-supervised learning algorithms and gain theoretical insights into their performance on downstream tasks.

Contrastive methods have led a recent surge in the performance of self-supervised representation learning (SSL). Recent methods like BYOL or SimSiam purportedly distill these contrastive methods down to their essence, removing bells and whistles, including the negative examples, that do not contribute to downstream performance. These "non-contrastive" methods work surprisingly well without using negatives even though the global minimum lies at trivial collapse. We empirically analyze these non-contrastive methods and find that SimSiam is extraordinarily sensitive to dataset and model size. In particular, SimSiam representations undergo partial dimensional collapse if the model is too small relative to the dataset size. We propose a metric to measure the degree of this collapse and show that it can be used to forecast the downstream task performance without any fine-tuning or labels. We further analyze architectural design choices and their effect on the downstream performance. Finally, we demonstrate that shifting to a continual learning setting acts as a regularizer and prevents collapse, and a hybrid between continual and multi-epoch training can improve linear probe accuracy by as many as 18 percentage points using ResNet-18 on ImageNet.

Adapting model parameters to incoming streams of data is a crucial factor to deep learning scalability. Interestingly, prior continual learning strategies in online settings inadvertently anchor their updated parameters to a local parameter subspace to remember old tasks, else drift away from the subspace and forget. From this observation, we formulate a trade-off between constructing multiple parameter modes and allocating tasks per mode. Mode-Optimized Task Allocation (MOTA), our contributed adaptation strategy, trains multiple modes in parallel, then optimizes task allocation per mode. We empirically demonstrate improvements over baseline continual learning strategies and across varying distribution shifts, namely sub-population, domain, and task shift.

Federated Learning (FL) is an intriguing distributed machine learning approach due to its privacy-preserving characteristics. To balance the trade-off between energy and execution latency, and thus accommodate different demands and application scenarios, we formulate an optimization problem to minimize a weighted sum of total energy consumption and completion time through two weight parameters. The optimization variables include bandwidth, transmission power and CPU frequency of each device in the FL system, where all devices are linked to a base station and train a global model collaboratively. Through decomposing the non-convex optimization problem into two subproblems, we devise a resource allocation algorithm to determine the bandwidth allocation, transmission power, and CPU frequency for each participating device. We further present the convergence analysis and computational complexity of the proposed algorithm. Numerical results show that our proposed algorithm not only has better performance at different weight parameters (i.e., different demands) but also outperforms the state of the art.

Graphs are used widely to model complex systems, and detecting anomalies in a graph is an important task in the analysis of complex systems. Graph anomalies are patterns in a graph that do not conform to normal patterns expected of the attributes and/or structures of the graph. In recent years, graph neural networks (GNNs) have been studied extensively and have successfully performed difficult machine learning tasks in node classification, link prediction, and graph classification thanks to the highly expressive capability via message passing in effectively learning graph representations. To solve the graph anomaly detection problem, GNN-based methods leverage information about the graph attributes (or features) and/or structures to learn to score anomalies appropriately. In this survey, we review the recent advances made in detecting graph anomalies using GNN models. Specifically, we summarize GNN-based methods according to the graph type (i.e., static and dynamic), the anomaly type (i.e., node, edge, subgraph, and whole graph), and the network architecture (e.g., graph autoencoder, graph convolutional network). To the best of our knowledge, this survey is the first comprehensive review of graph anomaly detection methods based on GNNs.

Partial Observability -- where agents can only observe partial information about the true underlying state of the system -- is ubiquitous in real-world applications of Reinforcement Learning (RL). Theoretically, learning a near-optimal policy under partial observability is known to be hard in the worst case due to an exponential sample complexity lower bound. Recent work has identified several tractable subclasses that are learnable with polynomial samples, such as Partially Observable Markov Decision Processes (POMDPs) with certain revealing or decodability conditions. However, this line of research is still in its infancy, where (1) unified structural conditions enabling sample-efficient learning are lacking; (2) existing sample complexities for known tractable subclasses are far from sharp; and (3) fewer sample-efficient algorithms are available than in fully observable RL. This paper advances all three aspects above for Partially Observable RL in the general setting of Predictive State Representations (PSRs). First, we propose a natural and unified structural condition for PSRs called \emph{B-stability}. B-stable PSRs encompasses the vast majority of known tractable subclasses such as weakly revealing POMDPs, low-rank future-sufficient POMDPs, decodable POMDPs, and regular PSRs. Next, we show that any B-stable PSR can be learned with polynomial samples in relevant problem parameters. When instantiated in the aforementioned subclasses, our sample complexities improve substantially over the current best ones. Finally, our results are achieved by three algorithms simultaneously: Optimistic Maximum Likelihood Estimation, Estimation-to-Decisions, and Model-Based Optimistic Posterior Sampling. The latter two algorithms are new for sample-efficient learning of POMDPs/PSRs.

Supervised machine learning approaches require the formulation of a loss functional to be minimized in the training phase. Sequential data are ubiquitous across many fields of research, and are often treated with Euclidean distance-based loss functions that were designed for tabular data. For smooth oscillatory data, those conventional approaches lack the ability to penalize amplitude, frequency and phase prediction errors at the same time, and tend to be biased towards amplitude errors. We introduce the surface similarity parameter (SSP) as a novel loss function that is especially useful for training machine learning models on smooth oscillatory sequences. Our extensive experiments on chaotic spatio-temporal dynamics systems indicate that the SSP is beneficial for shaping gradients, thereby accelerating the training process, reducing the final prediction error, increasing weight initialization robustness, and implementing a stronger regularization effect compared to using classical loss functions. The results indicate the potential of the novel loss metric particularly for highly complex and chaotic data, such as data stemming from the nonlinear two-dimensional Kuramoto-Sivashinsky equation and the linear propagation of dispersive surface gravity waves in fluids.

Humans naturally decompose their environment into entities at the appropriate level of abstraction to act in the world. Allowing machine learning algorithms to derive this decomposition in an unsupervised way has become an important line of research. However, current methods are restricted to simulated data or require additional information in the form of motion or depth in order to successfully discover objects. In this work, we overcome this limitation by showing that reconstructing features from models trained in a self-supervised manner is a sufficient training signal for object-centric representations to arise in a fully unsupervised way. Our approach, DINOSAUR, significantly out-performs existing object-centric learning models on simulated data and is the first unsupervised object-centric model that scales to real world-datasets such as COCO and PASCAL VOC. DINOSAUR is conceptually simple and shows competitive performance compared to more involved pipelines from the computer vision literature.

Inverse problems are paramount in Science and Engineering. In this paper, we consider the setup of Statistical Inverse Problem (SIP) and demonstrate how Stochastic Gradient Descent (SGD) algorithms can be used in the linear SIP setting. We provide consistency and finite sample bounds for the excess risk. We also propose a modification for the SGD algorithm where we leverage machine learning methods to smooth the stochastic gradients and improve empirical performance. We exemplify the algorithm in a setting of great interest nowadays: the Functional Linear Regression model. In this case we consider a synthetic data example and examples with a real data classification problem.

Isolation forest (iForest) has been emerging as arguably the most popular anomaly detector in recent years due to its general effectiveness across different benchmarks and strong scalability. Nevertheless, its linear axis-parallel isolation method often leads to (i) failure in detecting hard anomalies that are difficult to isolate in high-dimensional/non-linear-separable data space, and (ii) notorious algorithmic bias that assigns unexpectedly lower anomaly scores to artefact regions. These issues contribute to high false negative errors. Several iForest extensions are introduced, but they essentially still employ shallow, linear data partition, restricting their power in isolating true anomalies. Therefore, this paper proposes deep isolation forest. We introduce a new representation scheme that utilises casually initialised neural networks to map original data into random representation ensembles, where random axis-parallel cuts are subsequently applied to perform the data partition. This representation scheme facilitates high freedom of the partition in the original data space (equivalent to non-linear partition on subspaces of varying sizes), encouraging a unique synergy between random representations and random partition-based isolation. Extensive experiments show that our model achieves significant improvement over state-of-the-art isolation-based methods and deep detectors on tabular, graph and time series datasets; our model also inherits desired scalability from iForest.

The desire to make applications and machines more intelligent and the aspiration to enable their operation without human interaction have been driving innovations in neural networks, deep learning, and other machine learning techniques. Although reinforcement learning has been primarily used in video games, recent advancements and the development of diverse and powerful reinforcement algorithms have enabled the reinforcement learning community to move from playing video games to solving complex real-life problems in autonomous systems such as self-driving cars, delivery drones, and automated robotics. Understanding the environment of an application and the algorithms' limitations plays a vital role in selecting the appropriate reinforcement learning algorithm that successfully solves the problem on hand in an efficient manner. Consequently, in this study, we identify three main environment types and classify reinforcement learning algorithms according to those environment types. Moreover, within each category, we identify relationships between algorithms. The overview of each algorithm provides insight into the algorithms' foundations and reviews similarities and differences among algorithms. This study provides a perspective on the field and helps practitioners and researchers to select the appropriate algorithm for their use case.

Although Deep Neural Networks (DNNs) have great generalization and prediction capabilities, their functioning does not allow a detailed explanation of their behavior. Opaque deep learning models are increasingly used to make important predictions in critical environments, and the danger is that they make and use predictions that cannot be justified or legitimized. Several eXplainable Artificial Intelligence (XAI) methods that separate explanations from machine learning models have emerged, but have shortcomings in faithfulness to the model actual functioning and robustness. As a result, there is a widespread agreement on the importance of endowing Deep Learning models with explanatory capabilities so that they can themselves provide an answer to why a particular prediction was made. First, we address the problem of the lack of universal criteria for XAI by formalizing what an explanation is. We also introduced a set of axioms and definitions to clarify XAI from a mathematical perspective. Finally, we present the Greybox XAI, a framework that composes a DNN and a transparent model thanks to the use of a symbolic Knowledge Base (KB). We extract a KB from the dataset and use it to train a transparent model (i.e., a logistic regression). An encoder-decoder architecture is trained on RGB images to produce an output similar to the KB used by the transparent model. Once the two models are trained independently, they are used compositionally to form an explainable predictive model. We show how this new architecture is accurate and explainable in several datasets.

Enabling artificial neural networks (ANNs) to have temporal understanding in visual tasks is an essential requirement in order to achieve complete perception of video sequences. A wide range of benchmark datasets is available to allow for the evaluation of such capabilities when using conventional frame-based video sequences. In contrast, evaluating them for systems targeting neuromorphic data is still a challenge due to the lack of appropriate datasets. In this work we define a new benchmark task for action recognition in event-based video sequences, DVS-Gesture-Chain (DVS-GC), which is based on the temporal combination of multiple gestures from the widely used DVS-Gesture dataset. This methodology allows to create datasets that are arbitrarily complex in the temporal dimension. Using our newly defined task, we evaluate the spatio-temporal understanding of different feed-forward convolutional ANNs and convolutional Spiking Neural Networks (SNNs). Our study proves how the original DVS Gesture benchmark could be solved by networks without temporal understanding, unlike the new DVS-GC which demands an understanding of the ordering of events. From there, we provide a study showing how certain elements such as spiking neurons or time-dependent weights allow for temporal understanding in feed-forward networks without the need for recurrent connections. Code available at: https://github.com/VicenteAlex/DVS-Gesture-Chain

Normalizing flows are powerful non-parametric statistical models that function as a hybrid between density estimators and generative models. Current learning algorithms for normalizing flows assume that data points are sampled independently, an assumption that is frequently violated in practice, which may lead to erroneous density estimation and data generation. We propose a likelihood objective of normalizing flows incorporating dependencies between the data points, for which we derive a flexible and efficient learning algorithm suitable for different dependency structures. We show that respecting dependencies between observations can improve empirical results on both synthetic and real-world data.

Classical machine learning models such as deep neural networks are usually trained by using Stochastic Gradient Descent-based (SGD) algorithms. The classical SGD can be interpreted as a discretization of the stochastic gradient flow. In this paper we propose a novel, robust and accelerated stochastic optimizer that relies on two key elements: (1) an accelerated Nesterov-like Stochastic Differential Equation (SDE) and (2) its semi-implicit Gauss-Seidel type discretization. The convergence and stability of the obtained method, referred to as NAG-GS, are first studied extensively in the case of the minimization of a quadratic function. This analysis allows us to come up with an optimal step size (or learning rate) in terms of rate of convergence while ensuring the stability of NAG-GS. This is achieved by the careful analysis of the spectral radius of the iteration matrix and the covariance matrix at stationarity with respect to all hyperparameters of our method. We show that NAG-GS is competitive with state-of-the-art methods such as momentum SGD with weight decay and AdamW for the training of machine learning models such as the logistic regression model, the residual networks models on standard computer vision datasets, and Transformers in the frame of the GLUE benchmark.

Oil spill detection has attracted increasing attention in recent years since marine oil spill accidents severely affect environments, natural resources, and the lives of coastal inhabitants. Hyperspectral remote sensing images provide rich spectral information which is beneficial for the monitoring of oil spills in complex ocean scenarios. However, most of the existing approaches are based on supervised and semi-supervised frameworks to detect oil spills from hyperspectral images (HSIs), which require a huge amount of effort to annotate a certain number of high-quality training sets. In this study, we make the first attempt to develop an unsupervised oil spill detection method based on isolation forest for HSIs. First, considering that the noise level varies among different bands, a noise variance estimation method is exploited to evaluate the noise level of different bands, and the bands corrupted by severe noise are removed. Second, kernel principal component analysis (KPCA) is employed to reduce the high dimensionality of the HSIs. Then, the probability of each pixel belonging to one of the classes of seawater and oil spills is estimated with the isolation forest, and a set of pseudo-labeled training samples is automatically produced using the clustering algorithm on the detected probability. Finally, an initial detection map can be obtained by performing the support vector machine (SVM) on the dimension-reduced data, and then, the initial detection result is further optimized with the extended random walker (ERW) model so as to improve the detection accuracy of oil spills. Experiments on airborne hyperspectral oil spill data (HOSD) created by ourselves demonstrate that the proposed method obtains superior detection performance with respect to other state-of-the-art detection approaches.

The problem of determining the underlying dynamics of a system when only given data of its state over time has challenged scientists for decades. In this paper, the approach of using machine learning to model the {\em updates} of the phase space variables is introduced; this is done as a function of the phase space variables. (More generally, the modeling is done over the jet space of the variables.) This approach is shown to accurately replicate the dynamics for the examples of the harmonic oscillator, the pendulum, and the Duffing oscillator; the underlying differential equation is also accurately recovered in each example. In addition, the results in no way depend on how the data is sampled over time (i.e., regularly or irregularly). It is demonstrated that this approach (named "FJet") is similar to the model resulting from a Taylor series expansion of the Runge-Kutta (RK) numerical integration scheme. This analogy confers the advantage of explicitly revealing the appropriate functions to use in the modeling, as well as revealing the error estimate for the updates. Thus, this new approach can be thought of as a way to determine the coefficients of an RK scheme by machine learning. Finally, it is shown in the undamped harmonic oscillator example that the stability of the updates is stable for $10^9$ times longer than with $4$th-order RK.

Vision-Language Pre-training (VLP) models have shown remarkable performance on various downstream tasks. Their success heavily relies on the scale of pre-trained cross-modal datasets. However, the lack of large-scale datasets and benchmarks in Chinese hinders the development of Chinese VLP models and broader multilingual applications. In this work, we release a large-scale Chinese cross-modal dataset named Wukong, which contains 100 million Chinese image-text pairs collected from the web. Wukong aims to benchmark different multi-modal pre-training methods to facilitate the VLP research and community development. Furthermore, we release a group of models pre-trained with various image encoders (ViT-B/ViT-L/SwinT) and also apply advanced pre-training techniques into VLP such as locked-image text tuning, token-wise similarity in contrastive learning, and reduced-token interaction. Extensive experiments and a benchmarking of different downstream tasks including a new largest human-verified image-text test dataset are also provided. Experiments show that Wukong can serve as a promising Chinese pre-training dataset and benchmark for different cross-modal learning methods. For the zero-shot image classification task on 10 datasets, $Wukong_{ViT-L}$ achieves an average accuracy of 73.03%. For the image-text retrieval task, it achieves a mean recall of 71.6% on AIC-ICC which is 12.9% higher than WenLan 2.0. Also, our Wukong models are benchmarked on downstream tasks with other variants on multiple datasets, e.g., Flickr8K-CN, Flickr-30K-CN, COCO-CN, et al. More information can be referred to: https://wukong-dataset.github.io/wukong-dataset/.

The non-uniform photoelectric response of infrared imaging systems results in fixed-pattern stripe noise being superimposed on infrared images, which severely reduces image quality. As the applications of degraded infrared images are limited, it is crucial to effectively preserve original details. Existing image destriping methods struggle to concurrently remove all stripe noise artifacts, preserve image details and structures, and balance real-time performance. In this paper we propose a novel algorithm for destriping degraded images, which takes advantage of neighbouring column signal correlation to remove independent column stripe noise. This is achieved through an iterative deep unfolding algorithm where the estimated noise of one network iteration is used as input to the next iteration. This progression substantially reduces the search space of possible function approximations, allowing for efficient training on larger datasets. The proposed method allows for a more precise estimation of stripe noise to preserve scene details more accurately. Extensive experimental results demonstrate that the proposed model outperforms existing destriping methods on artificially corrupted images on both quantitative and qualitative assessments.

Recent breakthroughs in text-to-image synthesis have been driven by diffusion models trained on billions of image-text pairs. Adapting this approach to 3D synthesis would require large-scale datasets of labeled 3D data and efficient architectures for denoising 3D data, neither of which currently exist. In this work, we circumvent these limitations by using a pretrained 2D text-to-image diffusion model to perform text-to-3D synthesis. We introduce a loss based on probability density distillation that enables the use of a 2D diffusion model as a prior for optimization of a parametric image generator. Using this loss in a DeepDream-like procedure, we optimize a randomly-initialized 3D model (a Neural Radiance Field, or NeRF) via gradient descent such that its 2D renderings from random angles achieve a low loss. The resulting 3D model of the given text can be viewed from any angle, relit by arbitrary illumination, or composited into any 3D environment. Our approach requires no 3D training data and no modifications to the image diffusion model, demonstrating the effectiveness of pretrained image diffusion models as priors.

Causal inference and model interpretability research are gaining increasing attention, especially in the domains of healthcare and bioinformatics. Despite recent successes in this field, decorrelating features under nonlinear environments with human interpretable representations has not been adequately investigated. To address this issue, we introduce a novel method with a variable decorrelation regularizer to handle both linear and nonlinear confounding. Moreover, we employ association rules as new representations using association rule mining based on the original features to further proximate human decision patterns to increase model interpretability. Extensive experiments are conducted on four healthcare datasets (one synthetically generated and three real-world collections on different diseases). Quantitative results in comparison to baseline approaches on parameter estimation and causality computation indicate the model's superior performance. Furthermore, expert evaluation given by healthcare professionals validates the effectiveness and interpretability of the proposed model.

Self-Supervised Learning (SSL) methods such as VICReg, Barlow Twins or W-MSE avoid collapse of their joint embedding architectures by constraining or regularizing the covariance matrix of their projector's output. This study highlights important properties of such strategy, which we coin Variance-Covariance regularization (VCReg). More precisely, we show that VCReg enforces pairwise independence between the features of the learned representation. This result emerges by bridging VCReg applied on the projector's output to kernel independence criteria applied on the projector's input. This provides the first theoretical motivations and explanations of VCReg. We empirically validate our findings where (i) we observe that SSL methods employing VCReg learn visual representations with greater pairwise independence than other methods, (i) we put in evidence which projector's characteristics favor pairwise independence, and show it to emerge independently from learning the projector, (ii) we use these findings to obtain nontrivial performance gains for VICReg, (iii) we demonstrate that the scope of VCReg goes beyond SSL by using it to solve Independent Component Analysis. We hope that our findings will support the adoption of VCReg in SSL and beyond.

VQ (Vendor Qualification) and IOQ (Installation and Operation Qualification) audits are implemented in warehouses to ensure all equipment being turned over in the fulfillment network meets the quality standards. Audit checks are likely to be skipped if there are many checks to be performed in a short time. In addition, exploratory data analysis reveals several instances of similar checks being performed on the same assets and thus, duplicating the effort. In this work, Natural Language Processing and Machine Learning are applied to trim a large checklist dataset for a network of warehouses by identifying similarities and duplicates, and predict the non-critical ones with a high passing rate. The study proposes ML classifiers to identify checks which have a high passing probability of IOQ and VQ and assign priorities to checks to be prioritized when the time is not available to perform all checks. This research proposes using NLP-based BlazingText classifier to throttle the checklists with a high passing rate, which can reduce 10%-37% of the checks and achieve significant cost reduction. The applied algorithm over performs Random Forest and Neural Network classifiers and achieves an area under the curve of 90%. Because of imbalanced data, down-sampling and upweighting have shown a positive impact on the models' accuracy using F1 score, which improve from 8% to 75%. In addition, the proposed duplicate detection process identifies 17% possible redundant checks to be trimmed.

Polymers are a vital part of everyday life. Their chemical universe is so large that it presents unprecedented opportunities as well as significant challenges to identify suitable application-specific candidates. We present a complete end-to-end machine-driven polymer informatics pipeline that can search this space for suitable candidates at unprecedented speed and accuracy. This pipeline includes a polymer chemical fingerprinting capability called polyBERT (inspired by Natural Language Processing concepts), and a multitask learning approach that maps the polyBERT fingerprints to a host of properties. polyBERT is a chemical linguist that treats the chemical structure of polymers as a chemical language. The present approach outstrips the best presently available concepts for polymer property prediction based on handcrafted fingerprint schemes in speed by two orders of magnitude while preserving accuracy, thus making it a strong candidate for deployment in scalable architectures including cloud infrastructures.

Black-box attacks can generate adversarial examples without accessing the parameters of target model, largely exacerbating the threats of deployed deep neural networks (DNNs). However, previous works state that black-box attacks fail to mislead target models when their training data and outputs are inaccessible. In this work, we argue that black-box attacks can pose practical attacks in this extremely restrictive scenario where only several test samples are available. Specifically, we find that attacking the shallow layers of DNNs trained on a few test samples can generate powerful adversarial examples. As only a few samples are required, we refer to these attacks as lightweight black-box attacks. The main challenge to promoting lightweight attacks is to mitigate the adverse impact caused by the approximation error of shallow layers. As it is hard to mitigate the approximation error with few available samples, we propose Error TransFormer (ETF) for lightweight attacks. Namely, ETF transforms the approximation error in the parameter space into a perturbation in the feature space and alleviates the error by disturbing features. In experiments, lightweight black-box attacks with the proposed ETF achieve surprising results. For example, even if only 1 sample per category available, the attack success rate in lightweight black-box attacks is only about 3% lower than that of the black-box attacks with complete training data.

Sparse Principal Component Analysis is a cardinal technique for obtaining combinations of features, or principal components (PCs), that explain the variance of high-dimensional datasets in an interpretable manner. At its heart, this involves solving a sparsity and orthogonality constrained convex maximization problem, which is extremely computationally challenging. Most existing work address sparse PCA via heuristics such as iteratively computing one sparse PC and deflating the covariance matrix, which does not guarantee the orthogonality, let alone the optimality, of the resulting solution. We challenge this status by reformulating the orthogonality conditions as rank constraints and optimizing over the sparsity and rank constraints simultaneously. We design tight semidefinite relaxations and propose tractable second-order cone versions of these relaxations which supply high-quality upper bounds. We also design valid second-order cone inequalities which hold when each PC's individual sparsity is specified, and demonstrate that these inequalities tighten our relaxations significantly. Moreover, we propose exact methods and rounding mechanisms that exploit these relaxations' tightness to obtain solutions with a bound gap on the order of 1%-5% for real-world datasets with p = 100s or 1000s of features and r \in {2, 3} components. We investigate the performance of our methods in spiked covariance settings and demonstrate that simultaneously considering the orthogonality and sparsity constraints leads to improvements in the Area Under the ROC curve of 2%-8% compared to state-of-the-art deflation methods. All in all, our approach solves sparse PCA problems with multiple components to certifiable (near) optimality in a practically tractable fashion.

We study the application of variance reduction (VR) techniques to general non-convex stochastic optimization problems. In this setting, the recent work STORM [Cutkosky-Orabona '19] overcomes the drawback of having to compute gradients of "mega-batches" that earlier VR methods rely on. There, STORM utilizes recursive momentum to achieve the VR effect and is then later made fully adaptive in STORM+ [Levy et al., '21], where full-adaptivity removes the requirement for obtaining certain problem-specific parameters such as the smoothness of the objective and bounds on the variance and norm of the stochastic gradients in order to set the step size. However, STORM+ crucially relies on the assumption that the function values are bounded, excluding a large class of useful functions. In this work, we propose META-STORM, a generalized framework of STORM+ that removes this bounded function values assumption while still attaining the optimal convergence rate for non-convex optimization. META-STORM not only maintains full-adaptivity, removing the need to obtain problem specific parameters, but also improves the convergence rate's dependency on the problem parameters. Furthermore, META-STORM can utilize a large range of parameter settings that subsumes previous methods allowing for more flexibility in a wider range of settings. Finally, we demonstrate the effectiveness of META-STORM through experiments across common deep learning tasks. Our algorithm improves upon the previous work STORM+ and is competitive with widely used algorithms after the addition of per-coordinate update and exponential moving average heuristics.

Mobile UI understanding is important for enabling various interaction tasks such as UI automation and accessibility. Previous mobile UI modeling often depends on the view hierarchy information of a screen, which directly provides the structural data of the UI, with the hope to bypass challenging tasks of visual modeling from screen pixels. However, view hierarchy is not always available, and is often corrupted with missing object descriptions or misaligned bounding box positions. As a result, although using view hierarchy offers some short-term gains, it may ultimately hinder the applicability and performance of the model. In this paper, we propose Spotlight, a vision-only approach for mobile UI understanding. Specifically, we enhance a vision-language model that only takes the screenshot of the UI and a region of interest on the screen -- the focus -- as the input. This general architecture is easily scalable and capable of performing a range of UI modeling tasks. Our experiments show that our model obtains SoTA results on several representative UI tasks and outperforms previous methods that use both screenshots and view hierarchies as input. Furthermore, we explore the multi-task learning and few-shot prompting capacity of the proposed models, demonstrating promising results in the multi-task learning direction.

Feature selection is the problem of selecting a subset of features for a machine learning model that maximizes model quality subject to a resource budget constraint. For neural networks, prior methods, including those based on $\ell_1$ regularization, attention, and stochastic gates, typically select all of the features in one evaluation round, ignoring the residual value of the features during selection (i.e., the marginal contribution of a feature conditioned on the previously selected features). We propose a feature selection algorithm called Sequential Attention that achieves state-of-the-art empirical results for neural networks. This algorithm is based on an efficient implementation of greedy forward selection and uses attention weights at each step as a proxy for marginal feature importance. We provide theoretical insights into our Sequential Attention algorithm for linear regression models by showing that an adaptation to this setting is equivalent to the classical Orthogonal Matching Pursuit algorithm [PRK1993], and thus inherits all of its provable guarantees. Lastly, our theoretical and empirical analyses provide new explanations towards the effectiveness of attention and its connections to overparameterization, which might be of independent interest.

Restoration of poor quality images with a blended set of artifacts plays a vital role for a reliable diagnosis. Existing studies have focused on specific restoration problems such as image deblurring, denoising, and exposure correction where there is usually a strong assumption on the artifact type and severity. As a pioneer study in blind X-ray restoration, we propose a joint model for generic image restoration and classification: Restore-to-Classify Generative Adversarial Networks (R2C-GANs). Such a jointly optimized model keeps any disease intact after the restoration. Therefore, this will naturally lead to a higher diagnosis performance thanks to the improved X-ray image quality. To accomplish this crucial objective, we define the restoration task as an Image-to-Image translation problem from poor quality having noisy, blurry, or over/under-exposed images to high quality image domain. The proposed R2C-GAN model is able to learn forward and inverse transforms between the two domains using unpaired training samples. Simultaneously, the joint classification preserves the disease label during restoration. Moreover, the R2C-GANs are equipped with operational layers/neurons reducing the network depth and further boosting both restoration and classification performances. The proposed joint model is extensively evaluated over the QaTa-COV19 dataset for Coronavirus Disease 2019 (COVID-19) classification. The proposed restoration approach achieves over 90% F1-Score which is significantly higher than the performance of any deep model. Moreover, in the qualitative analysis, the restoration performance of R2C-GANs is approved by a group of medical doctors. We share the software implementation at https://github.com/meteahishali/R2C-GAN.

Diffusion models have been recently studied as powerful generative inverse problem solvers, owing to their high quality reconstructions and the ease of combining existing iterative solvers. However, most works focus on solving simple linear inverse problems in noiseless settings, which significantly under-represents the complexity of real-world problems. In this work, we extend diffusion solvers to efficiently handle general noisy (non)linear inverse problems via the Laplace approximation of the posterior sampling. Interestingly, the resulting posterior sampling scheme is a blended version of diffusion sampling with the manifold constrained gradient without a strict measurement consistency projection step, yielding a more desirable generative path in noisy settings compared to the previous studies. Our method demonstrates that diffusion models can incorporate various measurement noise statistics such as Gaussian and Poisson, and also efficiently handle noisy nonlinear inverse problems such as Fourier phase retrieval and non-uniform deblurring.

We propose a novel group of Gaussian Process based algorithms for fast approximate optimal stopping of time series with specific applications to financial markets. We show that structural properties commonly exhibited by financial time series (e.g., the tendency to mean-revert) allow the use of Gaussian and Deep Gaussian Process models that further enable us to analytically evaluate optimal stopping value functions and policies. We additionally quantify uncertainty in the value function by propagating the price model through the optimal stopping analysis. We compare and contrast our proposed methods against a sampling-based method, as well as a deep learning based benchmark that is currently considered the state-of-the-art in the literature. We show that our family of algorithms outperforms benchmarks on three historical time series datasets that include intra-day and end-of-day equity asset prices as well as the daily US treasury yield curve rates.

Dataset complexity assessment aims to predict classification performance on a dataset with complexity calculation before training a classifier, which can also be used for classifier selection and dataset reduction. The training process of deep convolutional neural networks (DCNNs) is iterative and time-consuming because of hyperparameter uncertainty and the domain shift introduced by different datasets. Hence, it is meaningful to predict classification performance by assessing the complexity of datasets effectively before training DCNN models. This paper proposes a novel method called cumulative maximum scaled Area Under Laplacian Spectrum (cmsAULS), which can achieve state-of-the-art complexity assessment performance on six datasets.

Existing analysis of AdaGrad and other adaptive methods for smooth convex optimization is typically for functions with bounded domain diameter. In unconstrained problems, previous works guarantee an asymptotic convergence rate without an explicit constant factor that holds true for the entire function class. Furthermore, in the stochastic setting, only a modified version of AdaGrad, different from the one commonly used in practice, in which the latest gradient is not used to update the stepsize, has been analyzed. Our paper aims at bridging these gaps and developing a deeper understanding of AdaGrad and its variants in the standard setting of smooth convex functions as well as the more general setting of quasar convex functions. First, we demonstrate new techniques to explicitly bound the convergence rate of the vanilla AdaGrad for unconstrained problems in both deterministic and stochastic settings. Second, we propose a variant of AdaGrad for which we can show the convergence of the last iterate, instead of the average iterate. Finally, we give new accelerated adaptive algorithms and their convergence guarantee in the deterministic setting with explicit dependency on the problem parameters, improving upon the asymptotic rate shown in previous works.

In offline reinforcement learning, weighted regression is a common method to ensure the learned policy stays close to the behavior policy and to prevent selecting out-of-sample actions. In this work, we show that due to the limited distributional expressivity of policy models, previous methods might still select unseen actions during training, which deviates from their initial motivation. To address this problem, we adopt a generative approach by decoupling the learned policy into two parts: an expressive generative behavior model and an action evaluation model. The key insight is that such decoupling avoids learning an explicitly parameterized policy model with a closed-form expression. Directly learning the behavior policy allows us to leverage existing advances in generative modeling, such as diffusion-based methods, to model diverse behaviors. As for action evaluation, we combine our method with an in-sample planning technique to further avoid selecting out-of-sample actions and increase computational efficiency. Experimental results on D4RL datasets show that our proposed method achieves competitive or superior performance compared with state-of-the-art offline RL methods, especially in complex tasks such as AntMaze. We also empirically demonstrate that our method can successfully learn from a heterogeneous dataset containing multiple distinctive but similarly successful strategies, whereas previous unimodal policies fail.

Diffusion models are a class of generative models that learn to synthesize samples by inverting a diffusion process that gradually maps data into noise. While these models have enjoyed great success recently, a full theoretical understanding of their observed properties is still lacking, in particular, their weak sensitivity to the choice of noise family and the role of adequate scheduling of noise levels for good synthesis. By identifying a correspondence between diffusion models and a well-known paradigm in cognitive science known as serial reproduction, whereby human agents iteratively observe and reproduce stimuli from memory, we show how the aforementioned properties of diffusion models can be explained as a natural consequence of this correspondence. We then complement our theoretical analysis with simulations that exhibit these key features. Our work highlights how classic paradigms in cognitive science can shed light on state-of-the-art machine learning problems.

The literature for fairness-aware machine learning knows a plethora of different fairness notions. It is however wellknown, that it is impossible to satisfy all of them, as certain notions contradict each other. In this paper, we take a closer look at academic performance prediction (APP) systems and try to distil which fairness notions suit this task most. For this, we scan recent literature proposing guidelines as to which fairness notion to use and apply these guidelines onto APP. Our findings suggest equalised odds as most suitable notion for APP, based on APP's WYSIWYG worldview as well as potential long-term improvements for the population.

In the last years, neural networks (NN) have evolved from laboratory environments to the state-of-the-art for many real-world problems. It was shown that NN models (i.e., their weights and biases) evolve on unique trajectories in weight space during training. Following, a population of such neural network models (referred to as model zoo) would form structures in weight space. We think that the geometry, curvature and smoothness of these structures contain information about the state of training and can reveal latent properties of individual models. With such model zoos, one could investigate novel approaches for (i) model analysis, (ii) discover unknown learning dynamics, (iii) learn rich representations of such populations, or (iv) exploit the model zoos for generative modelling of NN weights and biases. Unfortunately, the lack of standardized model zoos and available benchmarks significantly increases the friction for further research about populations of NNs. With this work, we publish a novel dataset of model zoos containing systematically generated and diverse populations of NN models for further research. In total the proposed model zoo dataset is based on eight image datasets, consists of 27 model zoos trained with varying hyperparameter combinations and includes 50'360 unique NN models as well as their sparsified twins, resulting in over 3'844'360 collected model states. Additionally, to the model zoo data we provide an in-depth analysis of the zoos and provide benchmarks for multiple downstream tasks. The dataset can be found at www.modelzoos.cc.

We study the problem of training a two-layer neural network (NN) of arbitrary width using stochastic gradient descent (SGD) where the input $\boldsymbol{x}\in \mathbb{R}^d$ is Gaussian and the target $y \in \mathbb{R}$ follows a multiple-index model, i.e., $y=g(\langle\boldsymbol{u_1},\boldsymbol{x}\rangle,...,\langle\boldsymbol{u_k},\boldsymbol{x}\rangle)$ with a noisy link function $g$. We prove that the first-layer weights of the NN converge to the $k$-dimensional principal subspace spanned by the vectors $\boldsymbol{u_1},...,\boldsymbol{u_k}$ of the true model, when online SGD with weight decay is used for training. This phenomenon has several important consequences when $k \ll d$. First, by employing uniform convergence on this smaller subspace, we establish a generalization error bound of $\mathcal{O}(\sqrt{{kd}/{T}})$ after $T$ iterations of SGD, which is independent of the width of the NN. We further demonstrate that, SGD-trained ReLU NNs can learn a single-index target of the form $y=f(\langle\boldsymbol{u},\boldsymbol{x}\rangle) + \epsilon$ by recovering the principal direction, with a sample complexity linear in $d$ (up to log factors), where $f$ is a monotonic function with at most polynomial growth, and $\epsilon$ is the noise. This is in contrast to the known $d^{\Omega(p)}$ sample requirement to learn any degree $p$ polynomial in the kernel regime, and it shows that NNs trained with SGD can outperform the neural tangent kernel at initialization. Finally, we also provide compressibility guarantees for NNs using the approximate low-rank structure produced by SGD.

Learning representations of neural network weights given a model zoo is an emerging and challenging area with many potential applications from model inspection, to neural architecture search or knowledge distillation. Recently, an autoencoder trained on a model zoo was able to learn a hyper-representation, which captures intrinsic and extrinsic properties of the models in the zoo. In this work, we extend hyper-representations for generative use to sample new model weights. We propose layer-wise loss normalization which we demonstrate is key to generate high-performing models and several sampling methods based on the topology of hyper-representations. The models generated using our methods are diverse, performant and capable to outperform strong baselines as evaluated on several downstream tasks: initialization, ensemble sampling and transfer learning. Our results indicate the potential of knowledge aggregation from model zoos to new models via hyper-representations thereby paving the avenue for novel research directions.

In this paper, we propose an access control method with a secret key for object detection models for the first time so that unauthorized users without a secret key cannot benefit from the performance of trained models. The method enables us not only to provide a high detection performance to authorized users but to also degrade the performance for unauthorized users. The use of transformed images was proposed for the access control of image classification models, but these images cannot be used for object detection models due to performance degradation. Accordingly, in this paper, selected feature maps are encrypted with a secret key for training and testing models, instead of input images. In an experiment, the protected models allowed authorized users to obtain almost the same performance as that of non-protected models but also with robustness against unauthorized access without a key.

This research aims to make metaverse characters more realistic by adding lip animations learnt from videos in the wild. To achieve this, our approach is to extend Tacotron 2 text-to-speech synthesizer to generate lip movements together with mel spectrogram in one pass. The encoder and gate layer weights are pre-trained on LJ Speech 1.1 data set while the decoder is retrained on 93 clips of TED talk videos extracted from LRS 3 data set. Our novel decoder predicts displacement in 20 lip landmark positions across time, using labels automatically extracted by OpenFace 2.0 landmark predictor. Training converged in 7 hours using less than 5 minutes of video. We conducted ablation study for Pre/Post-Net and pre-trained encoder weights to demonstrate the effectiveness of transfer learning between audio and visual speech data.

To address the distribution shifts between training and test data, domain generalization (DG) leverages multiple source domains to learn a model that generalizes well to unseen domains. However, existing DG methods generally suffer from overfitting to the source domains, partly due to the limited coverage of the expected region in feature space. Motivated by this, we propose to perform mixup with data interpolation and extrapolation to cover the potential unseen regions. To prevent the detrimental effects of unconstrained extrapolation, we carefully design a policy to generate the instance weights, named Flatness-aware Gradient-based Mixup (FGMix). The policy employs a gradient-based similarity to assign greater weights to instances that carry more invariant information, and learns the similarity function towards flatter minima for better generalization. On the DomainBed benchmark, we validate the efficacy of various designs of FGMix and demonstrate its superiority over other DG algorithms.

The similarity learning problem in the oil \& gas industry aims to construct a model that estimates similarity between interval measurements for logging data. Previous attempts are mostly based on empirical rules, so our goal is to automate this process and exclude expensive and time-consuming expert labelling. One of the approaches for similarity learning is self-supervised learning (SSL). In contrast to the supervised paradigm, this one requires little or no labels for the data. Thus, we can learn such models even if the data labelling is absent or scarce. Nowadays, most SSL approaches are contrastive and non-contrastive. However, due to possible wrong labelling of positive and negative samples, contrastive methods don't scale well with the number of objects. Non-contrastive methods don't rely on negative samples. Such approaches are actively used in the computer vision. We introduce non-contrastive SSL for time series data. In particular, we build on top of BYOL and Barlow Twins methods that avoid using negative pairs and focus only on matching positive pairs. The crucial part of these methods is an augmentation strategy. Different augmentations of time series exist, while their effect on the performance can be both positive and negative. Our augmentation strategies and adaption for BYOL and Barlow Twins together allow us to achieve a higher quality (ARI $= 0.49$) than other self-supervised methods (ARI $= 0.34$ only), proving usefulness of the proposed non-contrastive self-supervised approach for the interval similarity problem and time series representation learning in general.

Open-domain dialogue systems aim to interact with humans through natural language texts in an open-ended fashion. However, the widely successful neural networks may not work well for dialogue systems, as they tend to generate generic responses. In this work, we propose an Equal-size Hard Expectation--Maximization (EqHard-EM) algorithm to train a multi-decoder model for diverse dialogue generation. Our algorithm assigns a sample to a decoder in a hard manner and additionally imposes an equal-assignment constraint to ensure that all decoders are well-trained. We provide detailed theoretical analysis to justify our approach. Further, experiments on two large-scale, open-domain dialogue datasets verify that our EqHard-EM algorithm generates high-quality diverse responses.

Existing federated learning paradigms usually extensively exchange distributed models at a central solver to achieve a more powerful model. However, this would incur severe communication burden between a server and multiple clients especially when data distributions are heterogeneous. As a result, current federated learning methods often require a large number of communication rounds in training. Unlike existing paradigms, we introduce an alternative perspective to significantly decrease the communication cost in federate learning. In this work, we first introduce a meta knowledge representation method that extracts meta knowledge from distributed clients. The extracted meta knowledge encodes essential information that can be used to improve the current model. As the training progresses, the contributions of training samples to a federated model also vary. Thus, we introduce a dynamic weight assignment mechanism that enables samples to contribute adaptively to the current model update. Then, informative meta knowledge from all active clients is sent to the server for model update. Training a model on the combined meta knowledge without exposing original data among different clients can significantly mitigate the heterogeneity issues. Moreover, to further ameliorate data heterogeneity, we also exchange meta knowledge among clients as conditional initialization for local meta knowledge extraction. Extensive experiments demonstrate the effectiveness and efficiency of our proposed method. Remarkably, our method outperforms the state-of-the-art by a large margin (from $74.07\%$ to $92.95\%$) on MNIST with a restricted communication budget (i.e. 10 rounds).

Artistic painting has achieved significant progress during recent years by applying hundreds of GAN variants. However, adversarial training has been reported to be notoriously unstable and can lead to mode collapse. Recently, diffusion models have achieved GAN-level sample quality without adversarial training. Using autoencoders to project the original images into compressed latent spaces and cross attention enhanced U-Net as the backbone of diffusion, latent diffusion models have achieved stable and high fertility image generation. In this paper, we focus on enhancing the creative painting ability of current latent diffusion models in two directions, textual condition extension and model retraining with Wikiart dataset. Through textual condition extension, users' input prompts are expanded in temporal and spacial directions for deeper understanding and explaining the prompts. Wikiart dataset contains 80K famous artworks drawn during recent 400 years by more than 1,000 famous artists in rich styles and genres. Through the retraining, we are able to ask these artists to draw novel and creative painting on modern topics.

Mathematical reasoning, a core ability of human intelligence, presents unique challenges for machines in abstract thinking and logical reasoning. Recent large pre-trained language models such as GPT-3 have achieved remarkable progress on mathematical reasoning tasks written in text form, such as math word problems (MWP). However, it is unknown if the models can handle more complex problems that involve math reasoning over heterogeneous information, such as tabular data. To fill the gap, we present Tabular Math Word Problems (TabMWP), a new dataset containing 38,431 open-domain grade-level problems that require mathematical reasoning on both textual and tabular data. Each question in TabMWP is aligned with a tabular context, which is presented as an image, semi-structured text, and a structured table. There are two types of questions: free-text and multi-choice, and each problem is annotated with gold solutions to reveal the multi-step reasoning process. We evaluate different pre-trained models on TabMWP, including the GPT-3 model in a few-shot setting. As earlier studies suggest, since few-shot GPT-3 relies on the selection of in-context examples, its performance is unstable and can degrade to near chance. The unstable issue is more severe when handling complex problems like TabMWP. To mitigate this, we further propose a novel approach, PromptPG, which utilizes policy gradient to learn to select in-context examples from a small amount of training data and then constructs the corresponding prompt for the test example. Experimental results show that our method outperforms the best baseline by 5.31% on the accuracy metric and reduces the prediction variance significantly compared to random selection, which verifies its effectiveness in the selection of in-context examples.

In this paper, we introduce Masked Multi-Step Multivariate Forecasting (MMMF), a novel and general self-supervised learning framework for time series forecasting with known future information. In many real-world forecasting scenarios, some future information is known, e.g., the weather information when making a short-to-mid-term electricity demand forecast, or the oil price forecasts when making an airplane departure forecast. Existing machine learning forecasting frameworks can be categorized into (1) sample-based approaches where each forecast is made independently, and (2) time series regression approaches where the future information is not fully incorporated. To overcome the limitations of existing approaches, we propose MMMF, a framework to train any neural network model capable of generating a sequence of outputs, that combines both the temporal information from the past and the known information about the future to make better predictions. Experiments are performed on two real-world datasets for (1) mid-term electricity demand forecasting, and (2) two-month ahead flight departures forecasting. They show that the proposed MMMF framework outperforms not only sample-based methods but also existing time series forecasting models with the exact same base models. Furthermore, once a neural network model is trained with MMMF, its inference speed is similar to that of the same model trained with traditional regression formulations, thus making MMMF a better alternative to existing regression-trained time series forecasting models if there is some available future information.

To discover new drugs is to seek and to prove causality. As an emerging approach leveraging human knowledge and creativity, data, and machine intelligence, causal inference holds the promise of reducing cognitive bias and improving decision making in drug discovery. While it has been applied across the value chain, the concepts and practice of causal inference remain obscure to many practitioners. This article offers a non-technical introduction to causal inference, reviews its recent applications, and discusses opportunities and challenges of adopting the causal language in drug discovery and development.

Learning mappings between infinite-dimensional function spaces has achieved empirical success in many disciplines of machine learning, including generative modeling, functional data analysis, causal inference, and multi-agent reinforcement learning. In this paper, we study the statistical limit of learning a Hilbert-Schmidt operator between two infinite-dimensional Sobolev reproducing kernel Hilbert spaces. We establish the information-theoretic lower bound in terms of the Sobolev Hilbert-Schmidt norm and show that a regularization that learns the spectral components below the bias contour and ignores the ones that are above the variance contour can achieve the optimal learning rate. At the same time, the spectral components between the bias and variance contours give us flexibility in designing computationally feasible machine learning algorithms. Based on this observation, we develop a multilevel kernel operator learning algorithm that is optimal when learning linear operators between infinite-dimensional function spaces.

This work introduces DiGress, a discrete denoising diffusion model for generating graphs with categorical node and edge attributes. Our model defines a diffusion process that progressively edits a graph with noise (adding or removing edges, changing the categories), and a graph transformer network that learns to revert this process. With these two ingredients in place, we reduce distribution learning over graphs to a simple sequence of classification tasks. We further improve sample quality by proposing a new Markovian noise model that preserves the marginal distribution of node and edge types during diffusion, and by adding auxiliary graph-theoretic features derived from the noisy graph at each diffusion step. Finally, we propose a guidance procedure for conditioning the generation on graph-level features. Overall, DiGress achieves state-of-the-art performance on both molecular and non-molecular datasets, with up to 3x validity improvement on a dataset of planar graphs. In particular, it is the first model that scales to the large GuacaMol dataset containing 1.3M drug-like molecules without using a molecule-specific representation such as SMILES or fragments.

Optimizing machine learning algorithms that are used to solve the objective function has been of great interest. Several approaches to optimize common algorithms, such as gradient descent and stochastic gradient descent, were explored. One of these approaches is reducing the gradient variance through adaptive sampling to solve large-scale optimization's empirical risk minimization (ERM) problems. In this paper, we will explore how starting with a small sample and then geometrically increasing it and using the solution of the previous sample ERM to compute the new ERM. This will solve ERM problems with first-order optimization algorithms of sublinear convergence but with lower computational complexity. This paper starts with theoretical proof of the approach, followed by two experiments comparing the gradient descent with the adaptive sampling of the gradient descent and ADAM with adaptive sampling ADAM on different datasets.

A dominant approach for addressing unsupervised domain adaptation is to map data points for the source and the target domains into an embedding space which is modeled as the output-space of a shared deep encoder. The encoder is trained to make the embedding space domain-agnostic to make a source-trained classifier generalizable on the target domain. A secondary mechanism to improve UDA performance further is to make the source domain distribution more compact to improve model generalizability. We demonstrate that increasing the interclass margins in the embedding space can help to develop a UDA algorithm with improved performance. We estimate the internally learned multi-modal distribution for the source domain, learned as a result of pretraining, and use it to increase the interclass class separation in the source domain to reduce the effect of domain shift. We demonstrate that using our approach leads to improved model generalizability on four standard benchmark UDA image classification datasets and compares favorably against exiting methods.

Detecting obstacles is crucial for safe and efficient autonomous driving. To this end, we present NVRadarNet, a deep neural network (DNN) that detects dynamic obstacles and drivable free space using automotive RADAR sensors. The network utilizes temporally accumulated data from multiple RADAR sensors to detect dynamic obstacles and compute their orientation in a top-down bird's-eye view (BEV). The network also regresses drivable free space to detect unclassified obstacles. Our DNN is the first of its kind to utilize sparse RADAR signals in order to perform obstacle and free space detection in real time from RADAR data only. The network has been successfully used for perception on our autonomous vehicles in real self-driving scenarios. The network runs faster than real time on an embedded GPU and shows good generalization across geographic regions.

Quantum machine learning (QML) is the use of quantum computing for the computation of machine learning algorithms. With the prevalence and importance of classical data, a hybrid quantum-classical approach to QML is called for. Parameterized Quantum Circuits (PQCs), and particularly Quantum Kernel PQCs, are generally used in the hybrid approach to QML. In this paper we discuss some important aspects of PQCs with quantum kernels including PQCs, quantum kernels, quantum kernels with quantum advantage, and the trainability of quantum kernels. We conclude that quantum kernels with hybrid kernel methods, a.k.a. quantum kernel methods, offer distinct advantages as a hybrid approach to QML. Not only do they apply to Noisy Intermediate-Scale Quantum (NISQ) devices, but they also can be used to solve all types of machine learning problems including regression, classification, clustering, and dimension reduction. Furthermore, beyond quantum utility, quantum advantage can be attained if the quantum kernels, i.e., the quantum feature encodings, are classically intractable.

Vessel segmentation in medical images is one of the important tasks in the diagnosis of vascular diseases and therapy planning. Although learning-based segmentation approaches have been extensively studied, a large amount of ground-truth labels are required in supervised methods and confusing background structures make neural networks hard to segment vessels in an unsupervised manner. To address this, here we introduce a novel diffusion adversarial representation learning (DARL) model that leverages a denoising diffusion probabilistic model with adversarial learning, and apply it for vessel segmentation. In particular, for self-supervised vessel segmentation, DARL learns background image distribution using a diffusion module, which lets a generation module effectively provide vessel representations. Also, by adversarial learning based on the proposed switchable spatially-adaptive denormalization, our model estimates synthetic fake vessel images as well as vessel segmentation masks, which further makes the model capture vessel-relevant semantic information. Once the proposed model is trained, the model generates segmentation masks by one step and can be applied to general vascular structure segmentation of coronary angiography and retinal images. Experimental results on various datasets show that our method significantly outperforms existing unsupervised and self-supervised methods in vessel segmentation.

Multicalibration is a desirable fairness criteria that constrains calibration error among flexibly-defined groups in the data while maintaining overall calibration. However, when outcome probabilities are correlated with group membership, multicalibrated models can exhibit a higher percent calibration error among groups with lower base rates than groups with higher base rates. As a result, it remains possible for a decision-maker to learn to trust or distrust model predictions for specific groups. To alleviate this, we propose proportional multicalibration, a criteria that constrains the percent calibration error among groups and within prediction bins. We prove that satisfying proportional multicalibration bounds a model's multicalibration as well its differential calibration, a stronger fairness criteria inspired by the fairness notion of sufficiency. We provide an efficient algorithm for post-processing risk prediction models for proportional multicalibration and evaluate it empirically. We conduct simulation studies and investigate a real-world application of PMC-postprocessing to prediction of emergency department patient admissions. We observe that proportional multicalibration is a promising criteria for controlling simultenous measures of calibration fairness of a model over intersectional groups with virtually no cost in terms of classification performance.

We present a flow-based approach to the optimal transport (OT) problem between two continuous distributions $\pi_0,\pi_1$ on $\mathbb{R}^d$, of minimizing a transport cost $\mathbb{E}[c(X_1-X_0)]$ in the set of couplings $(X_0,X_1)$ whose marginal distributions on $X_0,X_1$ equals $\pi_0,\pi_1$, respectively, where $c$ is a cost function. Our method iteratively constructs a sequence of neural ordinary differentiable equations (ODE), each learned by solving a simple unconstrained regression problem, which monotonically reduce the transport cost while automatically preserving the marginal constraints. This yields a monotonic interior approach that traverses inside the set of valid couplings to decrease the transport cost, which distinguishes itself from most existing approaches that enforce the coupling constraints from the outside. The main idea of the method draws from rectified flow, a recent approach that simultaneously decreases the whole family of transport costs induced by convex functions $c$ (and is hence multi-objective in nature), but is not tailored to minimize a specific transport cost. Our method is a single-object variant of rectified flow that guarantees to solve the OT problem for a fixed, user-specified convex cost function $c$.

In this paper, we propose a probabilistic model for computing an interpolative decomposition (ID) in which each column of the observed matrix has its own priority or importance, so that the end result of the decomposition finds a set of features that are representative of the entire set of features, and the selected features also have higher priority than others. This approach is commonly used for low-rank approximation, feature selection, and extracting hidden patterns in data, where the matrix factors are latent variables associated with each data dimension. Gibbs sampling for Bayesian inference is applied to carry out the optimization. We evaluate the proposed models on real-world datasets, including ten Chinese A-share stocks, and demonstrate that the proposed Bayesian ID algorithm with intervention (IID) produces comparable reconstructive errors to existing Bayesian ID algorithms while selecting features with higher scores or priority.

Diffusion models are powerful generative models that simulate the reverse of diffusion processes using score functions to synthesize data from noise. The sampling process of diffusion models can be interpreted as solving the reverse stochastic differential equation (SDE) or the ordinary differential equation (ODE) of the diffusion process, which often requires up to thousands of discretization steps to generate a single image. This has sparked a great interest in developing efficient integration techniques for reverse-S/ODEs. Here, we propose an orthogonal approach to accelerating score-based sampling: Denoising MCMC (DMCMC). DMCMC first uses MCMC to produce samples in the product space of data and variance (or diffusion time). Then, a reverse-S/ODE integrator is used to denoise the MCMC samples. Since MCMC traverses close to the data manifold, the computation cost of producing a clean sample for DMCMC is much less than that of producing a clean sample from noise. To verify the proposed concept, we show that Denoising Langevin Gibbs (DLG), an instance of DMCMC, successfully accelerates all six reverse-S/ODE integrators considered in this work on the tasks of CIFAR10 and CelebA-HQ-256 image generation. Notably, combined with integrators of Karras et al. (2022) and pre-trained score models of Song et al. (2021b), DLG achieves SOTA results. In the limited number of score function evaluation (NFE) settings on CIFAR10, we have $3.86$ FID with $\approx 10$ NFE and $2.63$ FID with $\approx 20$ NFE. On CelebA-HQ-256, we have $6.99$ FID with $\approx 160$ NFE, which beats the current best record of Kim et al. (2022) among score-based models, $7.16$ FID with $4000$ NFE. Code: https://github.com/1202kbs/DMCMC

The acquisition of advanced models relies on large datasets in many fields, which makes storing datasets and training models expensive. As a solution, dataset distillation can synthesize a small dataset such that models trained on it achieve high performance on par with the original large dataset. The recently proposed dataset distillation method by matching network parameters has been proved effective for several datasets. However, a few parameters in the distillation process are difficult to match, which harms the distillation performance. Based on this observation, this paper proposes a new method to solve the problem using parameter pruning. The proposed method can synthesize more robust distilled datasets and improve the distillation performance by pruning difficult-to-match parameters in the distillation process. Experimental results on three datasets show that the proposed method outperformed other SOTA dataset distillation methods.

We show that quantum states with "low stabilizer complexity" can be efficiently distinguished from Haar-random. Specifically, given an $n$-qubit pure state $|\psi\rangle$, we give an efficient algorithm that distinguishes whether $|\psi\rangle$ is (i) Haar-random or (ii) a state with stabilizer fidelity at least $\frac{1}{k}$ (i.e., has fidelity at least $\frac{1}{k}$ with some stabilizer state), promised that one of these is the case. With black-box access to $|\psi\rangle$, our algorithm uses $O\!\left( k^{12} \log(1/\delta)\right)$ copies of $|\psi\rangle$ and $O\!\left(n k^{12} \log(1/\delta)\right)$ time to succeed with probability at least $1-\delta$, and, with access to a state preparation unitary for $|\psi\rangle$ (and its inverse), $O\!\left( k^{3} \log(1/\delta)\right)$ queries and $O\!\left(n k^{3} \log(1/\delta)\right)$ time suffice. As a corollary, we prove that $\omega(\log(n))$ $T$-gates are necessary for any Clifford+$T$ circuit to prepare computationally pseudorandom quantum states, a first-of-its-kind lower bound.

Tradition ML development methodology does not enable a large number of contributors, each with distinct objectives, to work collectively on the creation and extension of a shared intelligent system. Enabling such a collaborative methodology can accelerate the rate of innovation, increase ML technologies accessibility and enable the emergence of novel capabilities. We believe that this can be achieved through the definition of abstraction boundaries and a modularized representation of ML models and methods. We present a multi-agent framework for collaborative and asynchronous extension of dynamic large-scale multitask intelligent systems.

Reasoning is a fundamental problem for computers and deeply studied in Artificial Intelligence. In this paper, we specifically focus on answering multi-hop logical queries on Knowledge Graphs (KGs). This is a complicated task because, in real-world scenarios, the graphs tend to be large and incomplete. Most previous works have been unable to create models that accept full First-Order Logical (FOL) queries, which include negative queries, and have only been able to process a limited set of query structures. Additionally, most methods present logic operators that can only perform the logical operation they are made for. We introduce a set of models that use Neural Networks to create one-point vector embeddings to answer the queries. The versatility of neural networks allows the framework to handle FOL queries with Conjunction ($\wedge$), Disjunction ($\vee$) and Negation ($\neg$) operators. We demonstrate experimentally the performance of our model through extensive experimentation on well-known benchmarking datasets. Besides having more versatile operators, the models achieve a 10\% relative increase over the best performing state of the art and more than 30\% over the original method based on single-point vector embeddings.

Kernel Regularized Least Squares (KRLS) is a popular method for flexibly estimating models that may have complex relationships between variables. However, its usefulness to many researchers is limited for two reasons. First, existing approaches are inflexible and do not allow KRLS to be combined with theoretically-motivated extensions such as fixed effects or non-linear outcomes. Second, estimation is extremely computationally intensive for even modestly sized datasets. Our paper addresses both concerns by introducing generalized KRLS (gKRLS). We note that KRLS can be re-formulated as a hierarchical model thereby allowing easy inference and modular model construction. Computationally, we also implement random sketching to dramatically accelerate estimation while incurring a limited penalty in estimation quality. We demonstrate that gKRLS can be fit on datasets with tens of thousands of observations in under one minute. Further, state-of-the-art techniques that require fitting the model over a dozen times (e.g. meta-learners) can be estimated quickly.

Hyperparameter optimization is the process of identifying the appropriate hyperparameter configuration of a given machine learning model with regard to a given learning task. For smaller data sets, an exhaustive search is possible; However, when the data size and model complexity increase, the number of configuration evaluations becomes the main computational bottleneck. A promising paradigm for tackling this type of problem is surrogate-based optimization. The main idea underlying this paradigm considers an incrementally updated model of the relation between the hyperparameter space and the output (target) space; the data for this model are obtained by evaluating the main learning engine, which is, for example, a factorization machine-based model. By learning to approximate the hyperparameter-target relation, the surrogate (machine learning) model can be used to score large amounts of hyperparameter configurations, exploring parts of the configuration space beyond the reach of direct machine learning engine evaluation. Commonly, a surrogate is selected prior to optimization initialization and remains the same during the search. We investigated whether dynamic switching of surrogates during the optimization itself is a sensible idea of practical relevance for selecting the most appropriate factorization machine-based models for large-scale online recommendation. We conducted benchmarks on data sets containing hundreds of millions of instances against established baselines such as Random Forest- and Gaussian process-based surrogates. The results indicate that surrogate switching can offer good performance while considering fewer learning engine evaluations.

Methods such as Layer Normalization (LN) and Batch Normalization (BN) have proven to be effective in improving the training of Recurrent Neural Networks (RNNs). However, existing methods normalize using only the instantaneous information at one particular time step, and the result of the normalization is a preactivation state with a time-independent distribution. This implementation fails to account for certain temporal differences inherent in the inputs and the architecture of RNNs. Since these networks share weights across time steps, it may also be desirable to account for the connections between time steps in the normalization scheme. In this paper, we propose a normalization method called Assorted-Time Normalization (ATN), which preserves information from multiple consecutive time steps and normalizes using them. This setup allows us to introduce longer time dependencies into the traditional normalization methods without introducing any new trainable parameters. We present theoretical derivations for the gradient propagation and prove the weight scaling invariance property. Our experiments applying ATN to LN demonstrate consistent improvement on various tasks, such as Adding, Copying, and Denoise Problems and Language Modeling Problems.

Object removal and image inpainting in facial images is a task in which objects that occlude a facial image are specifically targeted, removed, and replaced by a properly reconstructed facial image. Two different approaches utilizing U-net and modulated generator respectively have been widely endorsed for this task for their unique advantages but notwithstanding each method's innate disadvantages. U-net, a conventional approach for conditional GANs, retains fine details of unmasked regions but the style of the reconstructed image is inconsistent with the rest of the original image and only works robustly when the size of the occluding object is small enough. In contrast, the modulated generative approach can deal with a larger occluded area in an image and provides {a} more consistent style, yet it usually misses out on most of the detailed features. This trade-off between these two models necessitates an invention of a model that can be applied to any size of mask while maintaining a consistent style and preserving minute details of facial features. Here, we propose Semantics-Guided Inpainting Network (SGIN) which itself is a modification of the modulated generator, aiming to take advantage of its advanced generative capability and preserve the high-fidelity details of the original image. By using the guidance of a semantic map, our model is capable of manipulating facial features which grants direction to the one-to-many problem for further practicability.

We consider the problem of learning a set of probability distributions from the Bellman dynamics in distributional reinforcement learning~(RL) that learns the whole return distribution compared with only its expectation in classical RL. Despite its success to obtain superior performance, we still have a poor understanding of how the value distribution in distributional RL works. In this study, we analyze the optimization benefits of distributional RL by leverage of additional value distribution information over classical RL in the Neural Fitted Z-Iteration~(Neural FZI) framework. To begin with, we demonstrate that the distribution loss of distributional RL has desirable smoothness characteristics and hence enjoys stable gradients, which is in line with its tendency to promote optimization stability. Furthermore, the acceleration effect of distributional RL is revealed by decomposing the return distribution. It turns out that distributional RL can perform favorably if the value distribution approximation is appropriate, measured by the variance of gradient estimates in each environment for any specific distributional RL algorithm. Rigorous experiments validate the stable optimization behaviors of distributional RL, contributing to its acceleration effects compared to classical RL. The findings of our research illuminate how the value distribution in distributional RL algorithms helps the optimization.

As a valid metric of metric-measure spaces, Gromov-Wasserstein (GW) distance has shown the potential for matching problems of structured data like point clouds and graphs. However, its application in practice is limited due to its high computational complexity. To overcome this challenge, we propose a novel importance sparsification method, called Spar-GW, to approximate GW distance efficiently. In particular, instead of considering a dense coupling matrix, our method leverages a simple but effective sampling strategy to construct a sparse coupling matrix and update it with few computations. We demonstrate that the proposed Spar-GW method is applicable to the GW distance with arbitrary ground cost, and it reduces the complexity from $\mathcal{O}(n^4)$ to $\mathcal{O}(n^{2+\delta})$ for an arbitrary small $\delta>0$. In addition, this method can be extended to approximate the variants of GW distance, including the entropic GW distance, the fused GW distance, and the unbalanced GW distance. Experiments show the superiority of our Spar-GW to state-of-the-art methods in both synthetic and real-world tasks.

Equilibrium selection in multi-agent games refers to the problem of selecting a Pareto-optimal equilibrium. It has been shown that many state-of-the-art multi-agent reinforcement learning (MARL) algorithms are prone to converging to Pareto-dominated equilibria due to the uncertainty each agent has about the policy of the other agents during training. To address suboptimal equilibrium selection, we propose Pareto-AC (PAC), an actor-critic algorithm that utilises a simple principle of no-conflict games (a superset of cooperative games with identical rewards): each agent can assume the others will choose actions that will lead to a Pareto-optimal equilibrium. We evaluate PAC in a diverse set of multi-agent games and show that it converges to higher episodic returns compared to alternative MARL algorithms, as well as successfully converging to a Pareto-optimal equilibrium in a range of matrix games. Finally, we propose a graph neural network extension which is shown to efficiently scale in games with up to 15 agents.

Optimal transport (OT) offers a versatile framework to compare complex data distributions in a geometrically meaningful way. Traditional methods for computing the Wasserstein distance and geodesic between probability measures require mesh-dependent domain discretization and suffer from the curse-of-dimensionality. We present GeONet, a mesh-invariant deep neural operator network that learns the non-linear mapping from the input pair of initial and terminal distributions to the Wasserstein geodesic connecting the two endpoint distributions. In the offline training stage, GeONet learns the saddle point optimality conditions for the dynamic formulation of the OT problem in the primal and dual spaces that are characterized by a coupled PDE system. The subsequent inference stage is instantaneous and can be deployed for real-time predictions in the online learning setting. We demonstrate that GeONet achieves comparable testing accuracy to the standard OT solvers on a simulation example and the CIFAR-10 dataset with considerably reduced inference-stage computational cost by orders of magnitude.

In real-world applications, Federated Learning (FL) meets two challenges: (1) scalability, especially when applied to massive IoT networks; and (2) how to be robust against an environment with heterogeneous data. Realizing the first problem, we aim to design a novel FL framework named Full-stack FL (F2L). More specifically, F2L utilizes a hierarchical network architecture, making extending the FL network accessible without reconstructing the whole network system. Moreover, leveraging the advantages of hierarchical network design, we propose a new label-driven knowledge distillation (LKD) technique at the global server to address the second problem. As opposed to current knowledge distillation techniques, LKD is capable of training a student model, which consists of good knowledge from all teachers' models. Therefore, our proposed algorithm can effectively extract the knowledge of the regions' data distribution (i.e., the regional aggregated models) to reduce the divergence between clients' models when operating under the FL system with non-independent identically distributed data. Extensive experiment results reveal that: (i) our F2L method can significantly improve the overall FL efficiency in all global distillations, and (ii) F2L rapidly achieves convergence as global distillation stages occur instead of increasing on each communication cycle.

Smart meter measurements, though critical for accurate demand forecasting, face several drawbacks including consumers' privacy, data breach issues, to name a few. Recent literature has explored Federated Learning (FL) as a promising privacy-preserving machine learning alternative which enables collaborative learning of a model without exposing private raw data for short term load forecasting. Despite its virtue, standard FL is still vulnerable to an intractable cyber threat known as Byzantine attack carried out by faulty and/or malicious clients. Therefore, to improve the robustness of federated short-term load forecasting against Byzantine threats, we develop a state-of-the-art differentially private secured FL-based framework that ensures the privacy of the individual smart meter's data while protect the security of FL models and architecture. Our proposed framework leverages the idea of gradient quantization through the Sign Stochastic Gradient Descent (SignSGD) algorithm, where the clients only transmit the `sign' of the gradient to the control centre after local model training. As we highlight through our experiments involving benchmark neural networks with a set of Byzantine attack models, our proposed approach mitigates such threats quite effectively and thus outperforms conventional Fed-SGD models.

Even human intelligence system fails to offer 100% accuracy in identifying speeches from a specific individual. Machine intelligence is trying to mimic humans in speaker identification problems through various approaches to speech feature extraction and speech modeling techniques. This paper presents a text-independent speaker identification system that employs Mel Frequency Cepstral Coefficients (MFCC) for feature extraction and k-Nearest Neighbor (kNN) for classification. The maximum cross-validation accuracy obtained was 60%. This will be improved upon in subsequent research.

We consider reinforcement learning in an environment modeled by an episodic, finite, stage-dependent Markov decision process of horizon $H$ with $S$ states, and $A$ actions. The performance of an agent is measured by the regret after interacting with the environment for $T$ episodes. We propose an optimistic posterior sampling algorithm for reinforcement learning (OPSRL), a simple variant of posterior sampling that only needs a number of posterior samples logarithmic in $H$, $S$, $A$, and $T$ per state-action pair. For OPSRL we guarantee a high-probability regret bound of order at most $\widetilde{\mathcal{O}}(\sqrt{H^3SAT})$ ignoring $\text{poly}\log(HSAT)$ terms. The key novel technical ingredient is a new sharp anti-concentration inequality for linear forms which may be of independent interest. Specifically, we extend the normal approximation-based lower bound for Beta distributions by Alfers and Dinges [1984] to Dirichlet distributions. Our bound matches the lower bound of order $\Omega(\sqrt{H^3SAT})$, thereby answering the open problems raised by Agrawal and Jia [2017b] for the episodic setting.

We address object tracking by radar and the robustness of the current state-of-the-art methods to process outliers. The standard tracking algorithms extract detections from radar image space to use it in the filtering stage. Filtering is performed by a Kalman filter, which assumes Gaussian distributed noise. However, this assumption does not account for large modeling errors and results in poor tracking performance during abrupt motions. We take the Gaussian Sum Filter (single-object variant of the Multi Hypothesis Tracker) as our baseline and propose a modification by modelling process noise with a distribution that has heavier tails than a Gaussian. Variational Bayes provides a fast, computationally cheap inference algorithm. Our simulations show that - in the presence of process outliers - the robust tracker outperforms the Gaussian Sum filter when tracking single objects.

Assuming unknown classes could be present during classification, the open set recognition (OSR) task aims to classify an instance into a known class or reject it as unknown. In this paper, we use a two-stage training strategy for the OSR problems. In the first stage, we introduce a self-supervised feature decoupling method that finds the content features of the input samples from the known classes. Specifically, our feature decoupling approach learns a representation that can be split into content features and transformation features. In the second stage, we fine-tune the content features with the class labels. The fine-tuned content features are then used for the OSR problems. Moreover, we consider an unsupervised OSR scenario, where we cluster the content features learned from the first stage. To measure representation quality, we introduce intra-inter ratio (IIR). Our experimental results indicate that our proposed self-supervised approach outperforms others in image and malware OSR problems. Also, our analyses indicate that IIR is correlated with OSR performance.

There exist opportunities for Multivariate Linear Regression (MLR) in the prediction of Biochemical Oxygen Demand (BOD) in waste water, using the diverse water quality parameters as the input variables. The goal of this work is to examine the capability of MLR in prediction of BOD in waste water through four input variables: Dissolved Oxygen (DO), Nitrogen, Fecal Coliform and Total Coliform. The four input variables have higher correlation strength to BOD out of the seven parameters examined for the strength of correlation. Machine Learning (ML) was done with both 80% and 90% of the data as the training set and 20% and 10% as the test set respectively. MLR performance was evaluated through the coefficient of correlation (r), Root Mean Square Error (RMSE) and the percentage accuracy in prediction of BOD. The performance indices for the input variables of Dissolved Oxygen, Nitrogen, Fecal Coliform and Total Coliform in prediction of BOD are: RMSE=6.77mg/L, r=0.60 and accuracy 70.3% for training dataset of 80% and RMSE=6.74mg/L, r=0.60 and accuracy of 87.5% for training set of 90% of the dataset. It was found that increasing the percentage of the training set above 80% of the dataset improved the accuracy of the model only but did not have a significant impact on the prediction capacity of the model. The results showed that MLR model could be successfully employed in the estimation of BOD in waste water using appropriately selected input parameters.

Accurate estimation of Intrinsic Dimensionality (ID) is of crucial importance in many data mining and machine learning tasks, including dimensionality reduction, outlier detection, similarity search and subspace clustering. However, since their convergence generally requires sample sizes (that is, neighborhood sizes) on the order of hundreds of points, existing ID estimation methods may have only limited usefulness for applications in which the data consists of many natural groups of small size. In this paper, we propose a local ID estimation strategy stable even for `tight' localities consisting of as few as 20 sample points. The estimator applies MLE techniques over all available pairwise distances among the members of the sample, based on a recent extreme-value-theoretic model of intrinsic dimensionality, the Local Intrinsic Dimension (LID). Our experimental results show that our proposed estimation technique can achieve notably smaller variance, while maintaining comparable levels of bias, at much smaller sample sizes than state-of-the-art estimators.

Large language models such as GPT-3 (Brown et al., 2020) can perform arbitrary tasks without undergoing fine-tuning after being prompted with only a few labeled examples. An arbitrary task can be reformulated as a natural language prompt, and a language model can be asked to generate the completion, indirectly performing the task in a paradigm known as prompt-based learning. To date, emergent prompt-based learning capabilities have mainly been demonstrated for unidirectional language models. However, bidirectional language models pre-trained on denoising objectives such as masked language modeling produce stronger learned representations for transfer learning. This motivates the possibility of prompting bidirectional models, but their pre-training objectives have made them largely incompatible with the existing prompting paradigm. We present SAP (Sequential Autoregressive Prompting), a technique that enables the prompting of bidirectional models. Utilizing the machine translation task as a case study, we prompt the bidirectional mT5 model (Xue et al., 2021) with SAP and demonstrate its few-shot and zero-shot translations outperform the few-shot translations of unidirectional models like GPT-3 and XGLM (Lin et al., 2021), despite mT5's approximately 50% fewer parameters. We further show SAP is effective on question answering and summarization. For the first time, our results demonstrate prompt-based learning is an emergent property of a broader class of language models, rather than only unidirectional models.

Graph Neural Networks (GNNs), which aggregate features from neighbors, are widely used for graph-structured data processing due to their powerful representation learning capabilities. It is generally believed that GNNs can implicitly remove the non-predictive noises. However, the analysis of implicit denoising effect in graph neural networks remains open. In this work, we conduct a comprehensive theoretical study and analyze when and why the implicit denoising happens in GNNs. Specifically, we study the convergence properties of noise matrix. Our theoretical analysis suggests that the implicit denoising largely depends on the connectivity, the graph size, and GNN architectures. Moreover, we formally define and propose the adversarial graph signal denoising (AGSD) problem by extending graph signal denoising problem. By solving such a problem, we derive a robust graph convolution, where the smoothness of the node representations and the implicit denoising effect can be enhanced. Extensive empirical evaluations verify our theoretical analyses and the effectiveness of our proposed model.

Many actor-critic deep reinforcement learning (DRL) algorithms have achieved cutting-edge performance in tackling various challenging reinforcement learning (RL) problems, including complex control tasks with high-dimensional continuous state and action spaces. Despite of widely reported success, existing DRL algorithms often suffer from the ineffective exploration issue, resulting in limited learning stability and performance. To address this limitation, several ensemble DRL algorithms have been proposed recently to boost exploration and stabilize the learning process. However, many existing ensemble algorithms are designed to train each base learner individually without controlling explicitly the collaboration among the trained base learners. In this paper, we propose a new technique to train an ensemble of base learners based on the multi-step integration methods. The new multi-step training technique enables us to develop a new hierarchical training algorithm for ensemble DRL that promotes inter-learner collaboration through explicit inter-learner parameter sharing. The design of our new algorithm is verified theoretically. The algorithm is also shown empirically to outperform several cutting-edge DRL algorithms on multiple benchmark RL problems.

Deformable image registration is one of the fundamental tasks in medical imaging. Classical registration algorithms usually require a high computational cost for iterative optimizations. Although deep-learning-based methods have been developed for fast image registration, it is still challenging to obtain realistic continuous deformations from a moving image to a fixed image with less topological folding problem. To address this, here we present a novel diffusion-model-based image registration method, called DiffuseMorph. DiffuseMorph not only generates synthetic deformed images through reverse diffusion but also allows image registration by deformation fields. Specifically, the deformation fields are generated by the conditional score function of the deformation between the moving and fixed images, so that the registration can be performed from continuous deformation by simply scaling the latent feature of the score. Experimental results on 2D facial and 3D medical image registration tasks demonstrate that our method provides flexible deformations with topology preservation capability.

For most natural language processing tasks, the dominant practice is to finetune large pretrained transformer models (e.g., BERT) using smaller downstream datasets. Despite the success of this approach, it remains unclear to what extent these gains are attributable to the massive background corpora employed for pretraining versus to the pretraining objectives themselves. This paper introduces a large-scale study of self-pretraining, where the same (downstream) training data is used for both pretraining and finetuning. In experiments addressing both ELECTRA and RoBERTa models and 10 distinct downstream datasets, we observe that self-pretraining rivals standard pretraining on the BookWiki corpus (despite using around $10\times$--$500\times$ less data), outperforming the latter on $7$ and $5$ datasets, respectively. Surprisingly, these task-specific pretrained models often perform well on other tasks, including the GLUE benchmark. Our results suggest that in many scenarios, performance gains attributable to pretraining are driven primarily by the pretraining objective itself and are not always attributable to the incorporation of massive datasets. These findings are especially relevant in light of concerns about intellectual property and offensive content in web-scale pretraining data.

We present Sparrow, an information-seeking dialogue agent trained to be more helpful, correct, and harmless compared to prompted language model baselines. We use reinforcement learning from human feedback to train our models with two new additions to help human raters judge agent behaviour. First, to make our agent more helpful and harmless, we break down the requirements for good dialogue into natural language rules the agent should follow, and ask raters about each rule separately. We demonstrate that this breakdown enables us to collect more targeted human judgements of agent behaviour and allows for more efficient rule-conditional reward models. Second, our agent provides evidence from sources supporting factual claims when collecting preference judgements over model statements. For factual questions, evidence provided by Sparrow supports the sampled response 78% of the time. Sparrow is preferred more often than baselines while being more resilient to adversarial probing by humans, violating our rules only 8% of the time when probed. Finally, we conduct extensive analyses showing that though our model learns to follow our rules it can exhibit distributional biases.

When applied to autonomous vehicle settings, action recognition can help enrich an environment model's understanding of the world and improve plans for future action. Towards these improvements in autonomous vehicle decision-making, we propose in this work a novel two-stage online action recognition system, termed RADACS. RADACS formulates the problem of active agent detection and adapts ideas about actor-context relations from human activity recognition in a straightforward two-stage pipeline for action detection and classification. We show that our proposed scheme can outperform the baseline on the ICCV2021 Road Challenge dataset and by deploying it on a real vehicle platform, we demonstrate how a higher-order understanding of agent actions in an environment can improve decisions on a real autonomous vehicle.

The physics of a closed quantum mechanical system is governed by its Hamiltonian. However, in most practical situations, this Hamiltonian is not precisely known, and ultimately all there is are data obtained from measurements on the system. In this work, we introduce a highly scalable, data-driven approach to learning families of interacting many-body Hamiltonians from dynamical data, by bringing together techniques from gradient-based optimization from machine learning with efficient quantum state representations in terms of tensor networks. Our approach is highly practical, experimentally friendly, and intrinsically scalable to allow for system sizes of above 100 spins. In particular, we demonstrate on synthetic data that the algorithm works even if one is restricted to one simple initial state, a small number of single-qubit observables, and time evolution up to relatively short times. For the concrete example of the one-dimensional Heisenberg model our algorithm exhibits an error constant in the system size and scaling as the inverse square root of the size of the data set.

Quantile regression (QR) is a powerful tool for estimating one or more conditional quantiles of a target variable $\mathrm{Y}$ given explanatory features $\boldsymbol{\mathrm{X}}$. A limitation of QR is that it is only defined for scalar target variables, due to the formulation of its objective function, and since the notion of quantiles has no standard definition for multivariate distributions. Recently, vector quantile regression (VQR) was proposed as an extension of QR for vector-valued target variables, thanks to a meaningful generalization of the notion of quantiles to multivariate distributions via optimal transport. Despite its elegance, VQR is arguably not applicable in practice due to several limitations: (i) it assumes a linear model for the quantiles of the target $\boldsymbol{\mathrm{Y}}$ given the features $\boldsymbol{\mathrm{X}}$; (ii) its exact formulation is intractable even for modestly-sized problems in terms of target dimensions, number of regressed quantile levels, or number of features, and its relaxed dual formulation may violate the monotonicity of the estimated quantiles; (iii) no fast or scalable solvers for VQR currently exist. In this work we fully address these limitations, namely: (i) We extend VQR to the non-linear case, showing substantial improvement over linear VQR; (ii) We propose {vector monotone rearrangement}, a method which ensures the quantile functions estimated by VQR are monotone functions; (iii) We provide fast, GPU-accelerated solvers for linear and nonlinear VQR which maintain a fixed memory footprint, and demonstrate that they scale to millions of samples and thousands of quantile levels; (iv) We release an optimized python package of our solvers as to widespread the use of VQR in real-world applications.

Acquiring labeled data is challenging in many machine learning applications with limited budgets. Active learning gives a procedure to select the most informative data points and improve data efficiency by reducing the cost of labeling. The info-max learning principle maximizing mutual information such as BALD has been successful and widely adapted in various active learning applications. However, this pool-based specific objective inherently introduces a redundant selection and further requires a high computational cost for batch selection. In this paper, we design and propose a new uncertainty measure, Balanced Entropy Acquisition (BalEntAcq), which captures the information balance between the uncertainty of underlying softmax probability and the label variable. To do this, we approximate each marginal distribution by Beta distribution. Beta approximation enables us to formulate BalEntAcq as a ratio between an augmented entropy and the marginalized joint entropy. The closed-form expression of BalEntAcq facilitates parallelization by estimating two parameters in each marginal Beta distribution. BalEntAcq is a purely standalone measure without requiring any relational computations with other data points. Nevertheless, BalEntAcq captures a well-diversified selection near the decision boundary with a margin, unlike other existing uncertainty measures such as BALD, Entropy, or Mean Standard Deviation (MeanSD). Finally, we demonstrate that our balanced entropy learning principle with BalEntAcq consistently outperforms well-known linearly scalable active learning methods, including a recently proposed PowerBALD, a simple but diversified version of BALD, by showing experimental results obtained from MNIST, CIFAR-100, SVHN, and TinyImageNet datasets.

Grand efforts in neuroscience are working toward mapping the connectomes of many new species, including the near completion of the Drosophila melanogaster. It is important to ask whether these models could benefit artificial intelligence. In this work we ask two fundamental questions: (1) where and when biological connectomes can provide use in machine learning, (2) which design principles are necessary for extracting a good representation of the connectome. Toward this end, we translate the motor circuit of the C. Elegans nematode into artificial neural networks at varying levels of biophysical realism and evaluate the outcome of training these networks on motor and non-motor behavioral tasks. We demonstrate that biophysical realism need not be upheld to attain the advantages of using biological circuits. We also establish that, even if the exact wiring diagram is not retained, the architectural statistics provide a valuable prior. Finally, we show that while the C. Elegans locomotion circuit provides a powerful inductive bias on locomotion problems, its structure may hinder performance on tasks unrelated to locomotion such as visual classification problems.

Signed networks are frequently observed in real life with additional sign information associated with each edge, yet such information has been largely ignored in existing network models. This paper develops a unified embedding model for signed networks to disentangle the intertwined balance structure and anomaly effect, which can greatly facilitate the downstream analysis, including community detection, anomaly detection, and network inference. The proposed model captures both balance structure and anomaly effect through a low rank plus sparse matrix decomposition, which are jointly estimated via a regularized formulation. Its theoretical guarantees are established in terms of asymptotic consistency and finite-sample probability bounds for network embedding, community detection and anomaly detection. The advantage of the proposed embedding model is also demonstrated through extensive numerical experiments on both synthetic networks and an international relation network.

This research presents an examination of categorizing the severity states of patients based on their electronic health records during a certain time range using multiple machine learning and deep learning approaches. The suggested method uses an EHR dataset collected from an open-source platform to categorize severity. Some tools were used in this research, such as openRefine was used to pre-process, RapidMiner was used for implementing three algorithms (Fast Large Margin, Generalized Linear Model, Multi-layer Feed-forward Neural Network) and Tableau was used to visualize the data, for implementation of algorithms we used Google Colab. Here we implemented several supervised and unsupervised algorithms along with semi-supervised and deep learning algorithms. The experimental results reveal that hyperparameter-tuned Random Forest outperformed all the other supervised machine learning algorithms with 76% accuracy as well as Generalized Linear algorithm achieved the highest precision score 78%, whereas the hyperparameter-tuned Hierarchical Clustering with 86% precision score and Gaussian Mixture Model with 61% accuracy outperformed other unsupervised approaches. Dimensionality Reduction improved results a lot for most unsupervised techniques. For implementing Deep Learning we employed a feed-forward neural network (multi-layer) and the Fast Large Margin approach for semi-supervised learning. The Fast Large Margin performed really well with a recall score of 84% and an F1 score of 78%. Finally, the Multi-layer Feed-forward Neural Network performed admirably with 75% accuracy, 75% precision, 87% recall, 81% F1 score.

Machine-learning potentials are usually trained on the ground-state, Born-Oppenheimer energy surface, which depends exclusively on the atomic positions and not on the simulation temperature. This disregards the effect of thermally-excited electrons, that is important in metals, and essential to the description of warm dense matter. An accurate physical description of these effects requires that the nuclei move on a temperature-dependent electronic free energy. We propose a method to obtain machine-learning predictions of this free energy at an arbitrary electron temperature using exclusively training data from ground-state calculations, avoiding the need to train temperature-dependent potentials, and benchmark it on metallic liquid hydrogen at the conditions of the core of gas giants and brown dwarfs. This work demonstrates the advantages of hybrid schemes that use physical consideration to combine machine-learning predictions, providing a blueprint for the development of similar approaches that extend the reach of atomistic modelling by removing the barrier between physics and data-driven methodologies.

Semi-supervised learning has received a lot of recent attention as it alleviates the need for large amounts of labelled data which can often be expensive, requires expert knowledge and be time consuming to collect. Recent developments in deep semi-supervised classification have reached unprecedented performance and the gap between supervised and semi-supervised learning is ever-decreasing. This improvement in performance has been based on the inclusion of numerous technical tricks, strong augmentation techniques and costly optimisation schemes with multi-term loss functions. We propose a new framework, LaplaceNet, for deep semi-supervised classification that has a greatly reduced model complexity. We utilise a hybrid approach where pseudolabels are produced by minimising the Laplacian energy on a graph. These pseudo-labels are then used to iteratively train a neural-network backbone. Our model outperforms state-of-the art methods for deep semi-supervised classification, over several benchmark datasets. Furthermore, we consider the application of strong-augmentations to neural networks theoretically and justify the use of a multi-sampling approach for semi-supervised learning. We demonstrate, through rigorous experimentation, that a multi-sampling augmentation approach improves generalisation and reduces the sensitivity of the network to augmentation.

Many network applications can be formulated as NP-hard combinatorial optimization problems of community detection (CD). Due to the NP-hardness, to balance the CD quality and efficiency remains a challenge. Most existing CD methods are transductive, which are independently optimized only for the CD on a single graph. Some of these methods use advanced machine learning techniques to obtain high-quality CD results but usually have high complexity. Other approaches use fast heuristic approximation to ensure low runtime but may suffer from quality degradation. In contrast to these transductive methods, we propose an alternative inductive community detection (ICD) method across graphs of a system or scenario to alleviate the NP-hard challenge. ICD first conducts the offline training of an adversarial dual GNN on historical graphs to capture key properties of the system. The trained model is then directly generalized to new unseen graphs for online CD without additional optimization, where a better trade-off between quality and efficiency can be achieved. ICD can also capture the permutation invariant community labels in the offline training and tackle the online CD on new graphs with non-fixed number of nodes and communities. Experiments on a set of benchmarks demonstrate that ICD can achieve a significant trade-off between quality and efficiency over various baselines.

We propose Make-A-Video -- an approach for directly translating the tremendous recent progress in Text-to-Image (T2I) generation to Text-to-Video (T2V). Our intuition is simple: learn what the world looks like and how it is described from paired text-image data, and learn how the world moves from unsupervised video footage. Make-A-Video has three advantages: (1) it accelerates training of the T2V model (it does not need to learn visual and multimodal representations from scratch), (2) it does not require paired text-video data, and (3) the generated videos inherit the vastness (diversity in aesthetic, fantastical depictions, etc.) of today's image generation models. We design a simple yet effective way to build on T2I models with novel and effective spatial-temporal modules. First, we decompose the full temporal U-Net and attention tensors and approximate them in space and time. Second, we design a spatial temporal pipeline to generate high resolution and frame rate videos with a video decoder, interpolation model and two super resolution models that can enable various applications besides T2V. In all aspects, spatial and temporal resolution, faithfulness to text, and quality, Make-A-Video sets the new state-of-the-art in text-to-video generation, as determined by both qualitative and quantitative measures.

New Attacks are increasingly used by attackers everyday but many of them are not detected by Intrusion Detection Systems as most IDS ignore raw packet information and only care about some basic statistical information extracted from PCAP files. Using networking programs to extract fixed statistical features from packets is good, but may not enough to detect nowadays challenges. We think that it is time to utilize big data and deep learning for automatic dynamic feature extraction from packets. It is time to get inspired by deep learning pre-trained models in computer vision and natural language processing, so security deep learning solutions will have its pre-trained models on big datasets to be used in future researches. In this paper, we proposed a new approach for embedding packets based on character-level embeddings, inspired by FastText success on text data. We called this approach FastPacket. Results are measured on subsets of CIC-IDS-2017 dataset, but we expect promising results on big data pre-trained models. We suggest building pre-trained FastPacket on MAWI big dataset and make it available to community, similar to FastText. To be able to outperform currently used NIDS, to start a new era of packet-level NIDS that can better detect complex attacks.

A critically important, ubiquitous, and yet poorly understood ingredient in modern deep networks (DNs) is batch normalization (BN), which centers and normalizes the feature maps. To date, only limited progress has been made understanding why BN boosts DN learning and inference performance; work has focused exclusively on showing that BN smooths a DN's loss landscape. In this paper, we study BN theoretically from the perspective of function approximation; we exploit the fact that most of today's state-of-the-art DNs are continuous piecewise affine (CPA) splines that fit a predictor to the training data via affine mappings defined over a partition of the input space (the so-called "linear regions"). {\em We demonstrate that BN is an unsupervised learning technique that -- independent of the DN's weights or gradient-based learning -- adapts the geometry of a DN's spline partition to match the data.} BN provides a "smart initialization" that boosts the performance of DN learning, because it adapts even a DN initialized with random weights to align its spline partition with the data. We also show that the variation of BN statistics between mini-batches introduces a dropout-like random perturbation to the partition boundaries and hence the decision boundary for classification problems. This per mini-batch perturbation reduces overfitting and improves generalization by increasing the margin between the training samples and the decision boundary.

Among the challenges not yet resolved for Counterfactual Explanations (CE), there are stability, synthesis of the various CE and the lack of plausibility/sparsity guarantees. From a more practical point of view, recent studies show that the prescribed counterfactual recourses are often not implemented exactly by the individuals and demonstrate that most state-of-the-art CE algorithms are very likely to fail in this noisy environment. To address these issues, we propose a probabilistic framework that gives a sparse local counterfactual rule for each observation: we provide rules that give a range of values that can change the decision with a given high probability instead of giving diverse CE. In addition, the recourses derived from these rules are robust by construction. These local rules are aggregated into a regional counterfactual rule to ensure the stability of the counterfactual explanations across observations. Our local and regional rules guarantee that the recourses are faithful to the data distribution because our rules use a consistent estimator of the probabilities of changing the decision based on a Random Forest. In addition, these probabilities give interpretable and sparse rules as we select the smallest set of variables having a given probability of changing the decision. Codes for computing our counterfactual rules are available, and we compare their relevancy with standard CE and recent similar attempts.

Probabilistic predictions from neural networks which account for predictive uncertainty during classification is crucial in many real-world and high-impact decision making settings. However, in practice most datasets are trained on non-probabilistic neural networks which by default do not capture this inherent uncertainty. This well-known problem has led to the development of post-hoc calibration procedures, such as Platt scaling (logistic), isotonic and beta calibration, which transforms the scores into well calibrated empirical probabilities. A plausible alternative to the calibration approach is to use Bayesian neural networks, which directly models a predictive distribution. Although they have been applied to images and text datasets, they have seen limited adoption in the tabular and small data regime. In this paper, we demonstrate that Bayesian neural networks yields competitive performance when compared to calibrated neural networks and conduct experiments across a wide array of datasets.

Classical algorithms are often not effective for solving nonconvex optimization problems where local minima are separated by high barriers. In this paper, we explore possible quantum speedups for nonconvex optimization by leveraging the global effect of quantum tunneling. Specifically, we introduce a quantum algorithm termed the quantum tunneling walk (QTW) and apply it to nonconvex problems where local minima are approximately global minima. We show that QTW achieves quantum speedup over classical stochastic gradient descents (SGD) when the barriers between different local minima are high but thin and the minima are flat. Based on this observation, we construct a specific double-well landscape, where classical algorithms cannot efficiently hit one target well knowing the other well but QTW can when given proper initial states near the known well. Finally, we corroborate our findings with numerical experiments.

The Iterative Hard Thresholding (IHT) algorithm has been considered extensively as an effective deterministic algorithm for solving sparse optimizations. The IHT algorithm benefits from the information of the batch (full) gradient at each point and this information is a crucial key for the convergence analysis of the generated sequence. However, this strength becomes a weakness when it comes to machine learning and high dimensional statistical applications because calculating the batch gradient at each iteration is computationally expensive or impractical. Fortunately, in these applications the objective function has a summation structure that can be taken advantage of to approximate the batch gradient by the stochastic mini-batch gradient. In this paper, we study the mini-batch Stochastic IHT (SIHT) algorithm for solving the sparse optimizations. As opposed to previous works where increasing and variable mini-batch size is necessary for derivation, we fix the mini-batch size according to a lower bound that we derive and show our work. To prove stochastic convergence of the objective value function we first establish a critical sparse stochastic gradient descent property. Using this stochastic gradient descent property we show that the sequence generated by the stochastic mini-batch SIHT is a supermartingale sequence and converges with probability one. Unlike previous work we do not assume the function to be a restricted strongly convex. To the best of our knowledge, in the regime of sparse optimization, this is the first time in the literature that it is shown that the sequence of the stochastic function values converges with probability one by fixing the mini-batch size for all steps.

Background and objective: Sharing of medical data is required to enable the cross-agency flow of healthcare information and construct high-accuracy computer-aided diagnosis systems. However, the large sizes of medical datasets, the massive amount of memory of saved deep convolutional neural network (DCNN) models, and patients' privacy protection are problems that can lead to inefficient medical data sharing. Therefore, this study proposes a novel soft-label dataset distillation method for medical data sharing. Methods: The proposed method distills valid information of medical image data and generates several compressed images with different data distributions for anonymous medical data sharing. Furthermore, our method can extract essential weights of DCNN models to reduce the memory required to save trained models for efficient medical data sharing. Results: The proposed method can compress tens of thousands of images into several soft-label images and reduce the size of a trained model to a few hundredths of its original size. The compressed images obtained after distillation have been visually anonymized; therefore, they do not contain the private information of the patients. Furthermore, we can realize high-detection performance with a small number of compressed images. Conclusions: The experimental results show that the proposed method can improve the efficiency and security of medical data sharing.

Data is the lifeblood of modern machine learning systems, including for those in Music Information Retrieval (MIR). However, MIR has long been mired by small datasets and unreliable labels. In this work, we propose to break this bottleneck using generative modeling. By pipelining a generative model of notes (Coconet trained on Bach Chorales) with a structured synthesis model of chamber ensembles (MIDI-DDSP trained on URMP), we demonstrate a system capable of producing unlimited amounts of realistic chorale music with rich annotations including mixes, stems, MIDI, note-level performance attributes (staccato, vibrato, etc.), and even fine-grained synthesis parameters (pitch, amplitude, etc.). We call this system the Chamber Ensemble Generator (CEG), and use it to generate a large dataset of chorales from four different chamber ensembles (CocoChorales). We demonstrate that data generated using our approach improves state-of-the-art models for music transcription and source separation, and we release both the system and the dataset as an open-source foundation for future work in the MIR community.

Research on text-to-image generation has witnessed significant progress in generating diverse and photo-realistic images, driven by diffusion and auto-regressive models trained on large-scale image-text data. Though state-of-the-art models can generate high-quality images of common entities, they often have difficulty generating images of uncommon entities, such as `Chortai (dog)' or `Picarones (food)'. To tackle this issue, we present the Retrieval-Augmented Text-to-Image Generator (Re-Imagen), a generative model that uses retrieved information to produce high-fidelity and faithful images, even for rare or unseen entities. Given a text prompt, Re-Imagen accesses an external multi-modal knowledge base to retrieve relevant (image, text) pairs, and uses them as references to generate the image. With this retrieval step, Re-Imagen is augmented with the knowledge of high-level semantics and low-level visual details of the mentioned entities, and thus improves its accuracy in generating the entities' visual appearances. We train Re-Imagen on a constructed dataset containing (image, text, retrieval) triples to teach the model to ground on both text prompt and retrieval. Furthermore, we develop a new sampling strategy to interleave the classifier-free guidance for text and retrieval condition to balance the text and retrieval alignment. Re-Imagen achieves new SoTA FID results on two image generation benchmarks, such as COCO (ie, FID = 5.25) and WikiImage (ie, FID = 5.82) without fine-tuning. To further evaluate the capabilities of the model, we introduce EntityDrawBench, a new benchmark that evaluates image generation for diverse entities, from frequent to rare, across multiple visual domains. Human evaluation on EntityDrawBench shows that Re-Imagen performs on par with the best prior models in photo-realism, but with significantly better faithfulness, especially on less frequent entities.

In edge computing, users' service profiles must be migrated in response to user mobility. Reinforcement learning (RL) frameworks have been proposed to do so. Nevertheless, these frameworks do not consider occasional server failures, which although rare, can prevent the smooth and safe functioning of edge computing users' latency sensitive applications such as autonomous driving and real-time obstacle detection, because users' computing jobs can no longer be completed. As these failures occur at a low probability, it is difficult for RL algorithms, which are inherently data-driven, to learn an optimal service migration solution for both the typical and rare event scenarios. Therefore, we introduce a rare events adaptive resilience framework FIRE, which integrates importance sampling into reinforcement learning to place backup services. We sample rare events at a rate proportional to their contribution to the value function, to learn an optimal policy. Our framework balances service migration trade-offs between delay and migration costs, with the costs of failure and the costs of backup placement and migration. We propose an importance sampling based Q-learning algorithm, and prove its boundedness and convergence to optimality. Following which we propose novel eligibility traces, linear function approximation and deep Q-learning versions of our algorithm to ensure it scales to real-world scenarios. We extend our framework to cater to users with different risk tolerances towards failure. Finally, we use trace driven experiments to show that our algorithm gives cost reductions in the event of failures.

Marker-based Optical Motion Capture (OMC) systems and the associated musculoskeletal (MSK) modeling predictions have offered the ability to gain insights into in vivo joint and muscle loading non-invasively as well as aid clinical decision-making. However, an OMC system is lab-based, expensive, and requires a line of sight. A widely used alternative is the Inertial Motion Capture (IMC) system, which is portable, user-friendly, and relatively low cost, although it is not as accurate as an OMC system. Irrespective of the choice of motion capture technique, one needs to use an MSK model to obtain the kinematic and kinetic outputs, which is a computationally expensive tool increasingly well approximated by machine learning (ML) methods. Here, we present an ML approach to map IMC data to the human upper-extremity MSK outputs computed from OMC input data. Essentially, we attempt to predict high-quality MSK outputs from the relatively easier-to-obtain IMC data. We use OMC and IMC data simultaneously collected for the same subjects to train an ML (feed-forward multi-layer perceptron) model that predicts OMC-based MSK outputs from IMC measurements. We demonstrate that our ML predictions have a high degree of agreement with the desired OMC-based MSK estimates. Thus, this approach will be instrumental in getting the technology from 'lab to field' where OMC-based systems are infeasible.

Graph Neural Networks (GNNs) are a popular class of machine learning models. Inspired by the learning to explain (L2X) paradigm, we propose L2XGNN, a framework for explainable GNNs which provides faithful explanations by design. L2XGNN learns a mechanism for selecting explanatory subgraphs (motifs) which are exclusively used in the GNNs message-passing operations. L2XGNN is able to select, for each input graph, a subgraph with specific properties such as being sparse and connected. Imposing such constraints on the motifs often leads to more interpretable and effective explanations. Experiments on several datasets suggest that L2XGNN achieves the same classification accuracy as baseline methods using the entire input graph while ensuring that only the provided explanations are used to make predictions. Moreover, we show that L2XGNN is able to identify motifs responsible for the graph's properties it is intended to predict.

Synthetic data generated by generative models can enhance the performance and capabilities of data-hungry deep learning models in medical imaging. However, there is (1) limited availability of (synthetic) datasets and (2) generative models are complex to train, which hinders their adoption in research and clinical applications. To reduce this entry barrier, we propose medigan, a one-stop shop for pretrained generative models implemented as an open-source framework-agnostic Python library. medigan allows researchers and developers to create, increase, and domain-adapt their training data in just a few lines of code. Guided by design decisions based on gathered end-user requirements, we implement medigan based on modular components for generative model (i) execution, (ii) visualisation, (iii) search & ranking, and (iv) contribution. The library's scalability and design is demonstrated by its growing number of integrated and readily-usable pretrained generative models consisting of 21 models utilising 9 different Generative Adversarial Network architectures trained on 11 datasets from 4 domains, namely, mammography, endoscopy, x-ray, and MRI. Furthermore, 3 applications of medigan are analysed in this work, which include (a) enabling community-wide sharing of restricted data, (b) investigating generative model evaluation metrics, and (c) improving clinical downstream tasks. In (b), extending on common medical image synthesis assessment and reporting standards, we show Fr\'echet Inception Distance variability based on image normalisation and radiology-specific feature extraction.

Pruning neural networks has become popular in the last decade when it was shown that a large number of weights can be safely removed from modern neural networks without compromising accuracy. Numerous pruning methods have been proposed since then, each claiming to be better than the previous. Many state-of-the-art (SOTA) techniques today rely on complex pruning methodologies utilizing importance scores, getting feedback through back-propagation or having heuristics-based pruning rules amongst others. We question this pattern of introducing complexity in order to achieve better pruning results. We benchmark these SOTA techniques against Global Magnitude Pruning (Global MP), a naive pruning baseline, to evaluate whether complexity is really needed to achieve higher performance. Global MP ranks weights in order of their magnitudes and prunes the smallest ones. Hence, in its vanilla form, it is one of the simplest pruning techniques. Surprisingly, we find that vanilla Global MP outperforms all the other SOTA techniques and achieves a new SOTA result. It also achieves good performance on FLOPs sparsification, which we find is enhanced, when pruning is conducted in a gradual fashion. We also find that Global MP is generalizable across tasks, datasets and models with superior performance. Moreover, a common issue that many pruning algorithms run into at high sparsity rates, namely, layer-collapse, can be easily fixed in Global MP by setting a minimum threshold of weights to be retained in each layer. Lastly, unlike many other SOTA techniques, Global MP does not require any additional algorithm specific hyper-parameters and is very straightforward to tune and implement. We showcase our findings on various models (WRN-28-8, ResNet-32, ResNet-50, MobileNet-V1 and FastGRNN) and multiple datasets (CIFAR-10, ImageNet and HAR-2). Code is available at https://github.com/manasgupta-1/GlobalMP.

The majority of real-world processes are spatiotemporal, and the data generated by them exhibits both spatial and temporal evolution. Weather is one of the most important processes that fall under this domain, and forecasting it has become a crucial part of our daily routine. Weather data analysis is considered the most complex and challenging task. Although numerical weather prediction models are currently state-of-the-art, they are resource intensive and time-consuming. Numerous studies have proposed time-series-based models as a viable alternative to numerical forecasts. Recent research has primarily focused on forecasting weather at a specific location. Therefore, models can only capture temporal correlations. This self-contained paper explores various methods for regional data-driven weather forecasting, i.e., forecasting over multiple latitude-longitude points to capture spatiotemporal correlations. The results showed that spatiotemporal prediction models reduced computational cost while improving accuracy; in particular, the proposed tensor train dynamic mode decomposition-based forecasting model has comparable accuracy to ConvLSTM without the need for training. We use the NASA POWER meteorological dataset to evaluate the models and compare them with the current state of the art.

3D object detection is an essential part of automated driving, and deep neural networks (DNNs) have achieved state-of-the-art performance for this task. However, deep models are notorious for assigning high confidence scores to out-of-distribution (OOD) inputs, that is, inputs that are not drawn from the training distribution. Detecting OOD inputs is challenging and essential for the safe deployment of models. OOD detection has been studied extensively for the classification task, but it has not received enough attention for the object detection task, specifically LiDAR-based 3D object detection. In this paper, we focus on the detection of OOD inputs for LiDAR-based 3D object detection. We formulate what OOD inputs mean for object detection and propose to adapt several OOD detection methods for object detection. We accomplish this by our proposed feature extraction method. To evaluate OOD detection methods, we develop a simple but effective technique of generating OOD objects for a given object detection model. Our evaluation based on the KITTI dataset shows that different OOD detection methods have biases toward detecting specific OOD objects. It emphasizes the importance of combined OOD detection methods and more research in this direction.  ( 3 min )

There has been growing interest in generalization performance of large multilayer neural networks that can be trained to achieve zero training error, while generalizing well on test data. This regime is known as 'second descent' and it appears to contradict the conventional view that optimal model complexity should reflect an optimal balance between underfitting and overfitting, i.e., the bias-variance trade-off. This paper presents a VC-theoretical analysis of double descent and shows that it can be fully explained by classical VC-generalization bounds. We illustrate an application of analytic VC-bounds for modeling double descent for classification, using empirical results for several learning methods, such as SVM, Least Squares, and Multilayer Perceptron classifiers. In addition, we discuss several reasons for the misinterpretation of VC-theoretical results in Deep Learning community.

A new index for internal evaluation of clustering is introduced. The index is defined as a mixture of two sub-indices. The first sub-index $ I_a $ is called the Ambiguous Index; the second sub-index $ I_s $ is called the Similarity Index. Calculation of the two sub-indices is based on density estimation to each cluster of a partition of the data. An experiment is conducted to test the performance of the new index, and compared with six other internal clustering evaluation indices -- Calinski-Harabasz index, Silhouette coefficient, Davies-Bouldin index, CDbw, DBCV, and VIASCKDE, on a set of 145 datasets. The result shows the new index significantly improves other internal clustering evaluation indices.

We study the survival bandit problem, a variant of the multi-armed bandit problem introduced in an open problem by Perotto et al. (2019), with a constraint on the cumulative reward; at each time step, the agent receives a (possibly negative) reward and if the cumulative reward becomes lower than a prespecified threshold, the procedure stops, and this phenomenon is called ruin. This is the first paper studying a framework where the ruin might occur but not always. We first discuss that a sublinear regret is unachievable under a naive definition of the regret. Next, we provide tight lower bounds on the probability of ruin (as well as matching policies). Based on this lower bound, we define the survival regret as an objective to minimize and provide a policy achieving a sublinear survival regret (at least in the case of integral rewards) when the time horizon $T$ is known.

Recently, diffusion model have demonstrated impressive image generation performances, and have been extensively studied in various computer vision tasks. Unfortunately, training and evaluating diffusion models consume a lot of time and computational resources. To address this problem, here we present a novel pyramidal diffusion model that can generate high resolution images starting from much coarser resolution images using a {\em single} score function trained with a positional embedding. This enables a neural network to be much lighter and also enables time-efficient image generation without compromising its performances. Furthermore, we show that the proposed approach can be also efficiently used for multi-scale super-resolution problem using a single score function.

Signed networks are frequently observed in real life with additional sign information associated with each edge, yet such information has been largely ignored in existing network models. This paper develops a unified embedding model for signed networks to disentangle the intertwined balance structure and anomaly effect, which can greatly facilitate the downstream analysis, including community detection, anomaly detection, and network inference. The proposed model captures both balance structure and anomaly effect through a low rank plus sparse matrix decomposition, which are jointly estimated via a regularized formulation. Its theoretical guarantees are established in terms of asymptotic consistency and finite-sample probability bounds for network embedding, community detection and anomaly detection. The advantage of the proposed embedding model is also demonstrated through extensive numerical experiments on both synthetic networks and an international relation network.

Directed acyclic graphs (DAGs) encode a lot of information about a particular distribution in its structure. However, compute required to infer these structures is typically super-exponential in the number of variables, as inference requires a sweep of a combinatorially large space of potential structures. That is, until recent advances made it possible to search this space using a differentiable metric, drastically reducing search time. While this technique -- named NOTEARS -- is widely considered a seminal work in DAG-discovery, it concedes an important property in favour of differentiability: transportability. To be transportable, the structures discovered on one dataset must apply to another dataset from the same domain. In our paper, we introduce D-Struct which recovers transportability in the discovered structures through a novel architecture and loss function, while remaining completely differentiable. Because D-Struct remains differentiable, our method can be easily adopted in existing differentiable architectures, as was previously done with NOTEARS. In our experiments, we empirically validate D-Struct with respect to edge accuracy and structural Hamming distance in a variety of settings.

Diffusion models have been recently studied as powerful generative inverse problem solvers, owing to their high quality reconstructions and the ease of combining existing iterative solvers. However, most works focus on solving simple linear inverse problems in noiseless settings, which significantly under-represents the complexity of real-world problems. In this work, we extend diffusion solvers to efficiently handle general noisy (non)linear inverse problems via the Laplace approximation of the posterior sampling. Interestingly, the resulting posterior sampling scheme is a blended version of diffusion sampling with the manifold constrained gradient without a strict measurement consistency projection step, yielding a more desirable generative path in noisy settings compared to the previous studies. Our method demonstrates that diffusion models can incorporate various measurement noise statistics such as Gaussian and Poisson, and also efficiently handle noisy nonlinear inverse problems such as Fourier phase retrieval and non-uniform deblurring.  ( 2 min )

We consider learning causal relationships under conditional moment restrictions. Unlike causal inference under unconditional moment restrictions, conditional moment restrictions pose serious challenges for causal inference, especially in high-dimensional settings. To address this issue, we propose a method that transforms conditional moment restrictions to unconditional moment restrictions through importance weighting, using a conditional density ratio estimator. Using this transformation, we successfully estimate nonparametric functions defined under conditional moment restrictions. Our proposed framework is general and can be applied to a wide range of methods, including neural networks. We analyze the estimation error, providing theoretical support for our proposed method. In experiments, we confirm the soundness of our proposed method.  ( 2 min )

Effective data-driven PDE forecasting methods often rely on fixed spatial and / or temporal discretizations. This raises limitations in real-world applications like weather prediction where flexible extrapolation at arbitrary spatiotemporal locations is required. We address this problem by introducing a new data-driven approach, DINo, that models a PDE's flow with continuous-time dynamics of spatially continuous functions. This is achieved by embedding spatial observations independently of their discretization via Implicit Neural Representations in a small latent space temporally driven by a learned ODE. This separate and flexible treatment of time and space makes DINo the first data-driven model to combine the following advantages. It extrapolates at arbitrary spatial and temporal locations; it can learn from sparse irregular grids or manifolds; at test time, it generalizes to new grids or resolutions. DINo outperforms alternative neural PDE forecasters in a variety of challenging generalization scenarios on representative PDE systems.  ( 2 min )

We present a flow-based approach to the optimal transport (OT) problem between two continuous distributions $\pi_0,\pi_1$ on $\mathbb{R}^d$, of minimizing a transport cost $\mathbb{E}[c(X_1-X_0)]$ in the set of couplings $(X_0,X_1)$ whose marginal distributions on $X_0,X_1$ equals $\pi_0,\pi_1$, respectively, where $c$ is a cost function. Our method iteratively constructs a sequence of neural ordinary differentiable equations (ODE), each learned by solving a simple unconstrained regression problem, which monotonically reduce the transport cost while automatically preserving the marginal constraints. This yields a monotonic interior approach that traverses inside the set of valid couplings to decrease the transport cost, which distinguishes itself from most existing approaches that enforce the coupling constraints from the outside. The main idea of the method draws from rectified flow, a recent approach that simultaneously decreases the whole family of transport costs induced by convex functions $c$ (and is hence multi-objective in nature), but is not tailored to minimize a specific transport cost. Our method is a single-object variant of rectified flow that guarantees to solve the OT problem for a fixed, user-specified convex cost function $c$.  ( 2 min )

Quantile regression (QR) is a powerful tool for estimating one or more conditional quantiles of a target variable $\mathrm{Y}$ given explanatory features $\boldsymbol{\mathrm{X}}$. A limitation of QR is that it is only defined for scalar target variables, due to the formulation of its objective function, and since the notion of quantiles has no standard definition for multivariate distributions. Recently, vector quantile regression (VQR) was proposed as an extension of QR for vector-valued target variables, thanks to a meaningful generalization of the notion of quantiles to multivariate distributions via optimal transport. Despite its elegance, VQR is arguably not applicable in practice due to several limitations: (i) it assumes a linear model for the quantiles of the target $\boldsymbol{\mathrm{Y}}$ given the features $\boldsymbol{\mathrm{X}}$; (ii) its exact formulation is intractable even for modestly-sized problems in terms of target dimensions, number of regressed quantile levels, or number of features, and its relaxed dual formulation may violate the monotonicity of the estimated quantiles; (iii) no fast or scalable solvers for VQR currently exist. In this work we fully address these limitations, namely: (i) We extend VQR to the non-linear case, showing substantial improvement over linear VQR; (ii) We propose {vector monotone rearrangement}, a method which ensures the quantile functions estimated by VQR are monotone functions; (iii) We provide fast, GPU-accelerated solvers for linear and nonlinear VQR which maintain a fixed memory footprint, and demonstrate that they scale to millions of samples and thousands of quantile levels; (iv) We release an optimized python package of our solvers as to widespread the use of VQR in real-world applications.  ( 3 min )

This work studies the problem of transfer learning under the functional linear model framework, which aims to improve the fit of the target model by leveraging the knowledge from related source models. We measure the relatedness between target and source models using Reproducing Kernel Hilbert Spaces, allowing the type of knowledge being transferred to be interpreted by the structure of the spaces. Two algorithms are proposed: one transfers knowledge when the index of transferable sources is known, while the other one utilizes aggregation to achieve knowledge transfer without prior information about the sources. Furthermore, we establish the optimal convergence rates for excess risk, making the statistical gain via transfer learning mathematically provable. The effectiveness of the proposed algorithms is demonstrated on synthetic data as well as real financial data.  ( 2 min )

Recent breakthroughs in text-to-image synthesis have been driven by diffusion models trained on billions of image-text pairs. Adapting this approach to 3D synthesis would require large-scale datasets of labeled 3D data and efficient architectures for denoising 3D data, neither of which currently exist. In this work, we circumvent these limitations by using a pretrained 2D text-to-image diffusion model to perform text-to-3D synthesis. We introduce a loss based on probability density distillation that enables the use of a 2D diffusion model as a prior for optimization of a parametric image generator. Using this loss in a DeepDream-like procedure, we optimize a randomly-initialized 3D model (a Neural Radiance Field, or NeRF) via gradient descent such that its 2D renderings from random angles achieve a low loss. The resulting 3D model of the given text can be viewed from any angle, relit by arbitrary illumination, or composited into any 3D environment. Our approach requires no 3D training data and no modifications to the image diffusion model, demonstrating the effectiveness of pretrained image diffusion models as priors.  ( 2 min )

In recent times, deep neural networks achieved outstanding predictive performance on various classification and pattern recognition tasks. However, many real-world prediction problems have ordinal response variables, and this ordering information is ignored by conventional classification losses such as the multi-category cross-entropy. Ordinal regression methods for deep neural networks address this. One such method is the CORAL method, which is based on an earlier binary label extension framework and achieves rank consistency among its output layer tasks by imposing a weight-sharing constraint. However, while earlier experiments showed that CORAL's rank consistency is beneficial for performance, {it is limited by a weight-sharing constraint in a neural network's fully connected output layer. We propose a new method for rank-consistent ordinal regression without this limitation. Our rank-consistent ordinal regression framework (CORN) achieves rank consistency by a novel training scheme. This training scheme uses} conditional training sets to obtain the unconditional rank probabilities through applying the chain rule for conditional probability distributions. Experiments on various datasets demonstrate the efficacy of the proposed method to utilize the ordinal target information, and the absence of the weight-sharing restriction improves the performance substantially compared to the CORAL reference approach.  ( 3 min )

The majority of real-world processes are spatiotemporal, and the data generated by them exhibits both spatial and temporal evolution. Weather is one of the most important processes that fall under this domain, and forecasting it has become a crucial part of our daily routine. Weather data analysis is considered the most complex and challenging task. Although numerical weather prediction models are currently state-of-the-art, they are resource intensive and time-consuming. Numerous studies have proposed time-series-based models as a viable alternative to numerical forecasts. Recent research has primarily focused on forecasting weather at a specific location. Therefore, models can only capture temporal correlations. This self-contained paper explores various methods for regional data-driven weather forecasting, i.e., forecasting over multiple latitude-longitude points to capture spatiotemporal correlations. The results showed that spatiotemporal prediction models reduced computational cost while improving accuracy; in particular, the proposed tensor train dynamic mode decomposition-based forecasting model has comparable accuracy to ConvLSTM without the need for training. We use the NASA POWER meteorological dataset to evaluate the models and compare them with the current state of the art.  ( 2 min )

When implementing the gradient descent method in low precision, the employment of stochastic rounding schemes helps to prevent stagnation of convergence caused by the vanishing gradient effect. Unbiased stochastic rounding yields zero bias by preserving small updates with probabilities proportional to their relative magnitudes. This study provides a theoretical explanation for the stagnation of the gradient descent method in low-precision computation. Additionally, we propose two new stochastic rounding schemes that trade the zero bias property with a larger probability to preserve small gradients. Our methods yield a constant rounding bias that, on average, lies in a descent direction. For convex problems, we prove that the proposed rounding methods typically have a beneficial effect on the convergence rate of gradient descent. We validate our theoretical analysis by comparing the performances of various rounding schemes when optimizing a multinomial logistic regression model and when training a simple neural network with an 8-bit floating-point format.  ( 2 min )

It is well-known that for sparse linear bandits, when ignoring the dependency on sparsity which is much smaller than the ambient dimension, the worst-case minimax regret is $\widetilde{\Theta}\left(\sqrt{dT}\right)$ where $d$ is the ambient dimension and $T$ is the number of rounds. On the other hand, in the benign setting where there is no noise and the action set is the unit sphere, one can use divide-and-conquer to achieve $\widetilde{\mathcal O}(1)$ regret, which is (nearly) independent of $d$ and $T$. In this paper, we present the first variance-aware regret guarantee for sparse linear bandits: $\widetilde{\mathcal O}\left(\sqrt{d\sum_{t=1}^T \sigma_t^2} + 1\right)$, where $\sigma_t^2$ is the variance of the noise at the $t$-th round. This bound naturally interpolates the regret bounds for the worst-case constant-variance regime (i.e., $\sigma_t \equiv \Omega(1)$) and the benign deterministic regimes (i.e., $\sigma_t \equiv 0$). To achieve this variance-aware regret guarantee, we develop a general framework that converts any variance-aware linear bandit algorithm to a variance-aware algorithm for sparse linear bandits in a "black-box" manner. Specifically, we take two recent algorithms as black boxes to illustrate that the claimed bounds indeed hold, where the first algorithm can handle unknown-variance cases and the second one is more efficient.  ( 2 min )

Feature selection is the problem of selecting a subset of features for a machine learning model that maximizes model quality subject to a resource budget constraint. For neural networks, prior methods, including those based on $\ell_1$ regularization, attention, and stochastic gates, typically select all of the features in one evaluation round, ignoring the residual value of the features during selection (i.e., the marginal contribution of a feature conditioned on the previously selected features). We propose a feature selection algorithm called Sequential Attention that achieves state-of-the-art empirical results for neural networks. This algorithm is based on an efficient implementation of greedy forward selection and uses attention weights at each step as a proxy for marginal feature importance. We provide theoretical insights into our Sequential Attention algorithm for linear regression models by showing that an adaptation to this setting is equivalent to the classical Orthogonal Matching Pursuit algorithm [PRK1993], and thus inherits all of its provable guarantees. Lastly, our theoretical and empirical analyses provide new explanations towards the effectiveness of attention and its connections to overparameterization, which might be of independent interest.  ( 2 min )

Partial Observability -- where agents can only observe partial information about the true underlying state of the system -- is ubiquitous in real-world applications of Reinforcement Learning (RL). Theoretically, learning a near-optimal policy under partial observability is known to be hard in the worst case due to an exponential sample complexity lower bound. Recent work has identified several tractable subclasses that are learnable with polynomial samples, such as Partially Observable Markov Decision Processes (POMDPs) with certain revealing or decodability conditions. However, this line of research is still in its infancy, where (1) unified structural conditions enabling sample-efficient learning are lacking; (2) existing sample complexities for known tractable subclasses are far from sharp; and (3) fewer sample-efficient algorithms are available than in fully observable RL. This paper advances all three aspects above for Partially Observable RL in the general setting of Predictive State Representations (PSRs). First, we propose a natural and unified structural condition for PSRs called \emph{B-stability}. B-stable PSRs encompasses the vast majority of known tractable subclasses such as weakly revealing POMDPs, low-rank future-sufficient POMDPs, decodable POMDPs, and regular PSRs. Next, we show that any B-stable PSR can be learned with polynomial samples in relevant problem parameters. When instantiated in the aforementioned subclasses, our sample complexities improve substantially over the current best ones. Finally, our results are achieved by three algorithms simultaneously: Optimistic Maximum Likelihood Estimation, Estimation-to-Decisions, and Model-Based Optimistic Posterior Sampling. The latter two algorithms are new for sample-efficient learning of POMDPs/PSRs.  ( 3 min )

This paper introduces a simple efficient learning algorithms for general sequential decision making. The algorithm combines Optimism for exploration with Maximum Likelihood Estimation for model estimation, which is thus named OMLE. We prove that OMLE learns the near-optimal policies of an enormously rich class of sequential decision making problems in a polynomial number of samples. This rich class includes not only a majority of known tractable model-based Reinforcement Learning (RL) problems (such as tabular MDPs, factored MDPs, low witness rank problems, tabular weakly-revealing/observable POMDPs and multi-step decodable POMDPs), but also many new challenging RL problems especially in the partially observable setting that were not previously known to be tractable. Notably, the new problems addressed by this paper include (1) observable POMDPs with continuous observation and function approximation, where we achieve the first sample complexity that is completely independent of the size of observation space; (2) well-conditioned low-rank sequential decision making problems (also known as Predictive State Representations (PSRs)), which include and generalize all known tractable POMDP examples under a more intrinsic representation; (3) general sequential decision making problems under SAIL condition, which unifies our existing understandings of model-based RL in both fully observable and partially observable settings. SAIL condition is identified by this paper, which can be viewed as a natural generalization of Bellman/witness rank to address partial observability.  ( 3 min )

Optimal transport (OT) offers a versatile framework to compare complex data distributions in a geometrically meaningful way. Traditional methods for computing the Wasserstein distance and geodesic between probability measures require mesh-dependent domain discretization and suffer from the curse-of-dimensionality. We present GeONet, a mesh-invariant deep neural operator network that learns the non-linear mapping from the input pair of initial and terminal distributions to the Wasserstein geodesic connecting the two endpoint distributions. In the offline training stage, GeONet learns the saddle point optimality conditions for the dynamic formulation of the OT problem in the primal and dual spaces that are characterized by a coupled PDE system. The subsequent inference stage is instantaneous and can be deployed for real-time predictions in the online learning setting. We demonstrate that GeONet achieves comparable testing accuracy to the standard OT solvers on a simulation example and the CIFAR-10 dataset with considerably reduced inference-stage computational cost by orders of magnitude.  ( 2 min )

Probabilistic predictions from neural networks which account for predictive uncertainty during classification is crucial in many real-world and high-impact decision making settings. However, in practice most datasets are trained on non-probabilistic neural networks which by default do not capture this inherent uncertainty. This well-known problem has led to the development of post-hoc calibration procedures, such as Platt scaling (logistic), isotonic and beta calibration, which transforms the scores into well calibrated empirical probabilities. A plausible alternative to the calibration approach is to use Bayesian neural networks, which directly models a predictive distribution. Although they have been applied to images and text datasets, they have seen limited adoption in the tabular and small data regime. In this paper, we demonstrate that Bayesian neural networks yields competitive performance when compared to calibrated neural networks and conduct experiments across a wide array of datasets.  ( 2 min )

Generative deep neural networks used in machine learning, like the Variational Auto-Encoders (VAE), and Generative Adversarial Networks (GANs) produce new objects each time when asked to do so with the constraint that the new objects remain similar to some list of examples given as input. However, this behavior is unlike that of human artists that change their style as time goes by and seldom return to the style of the initial creations. We investigate a situation where VAEs are used to sample from a probability measure described by some empirical dataset. Based on recent works on Radon-Sobolev statistical distances, we propose a numerical paradigm, to be used in conjunction with a generative algorithm, that satisfies the two following requirements: the objects created do not repeat and evolve to fill the entire target probability distribution.  ( 2 min )

We study the community detection problem on a Gaussian mixture model, in which (1) vertices are divided into $k\geq 2$ distinct communities that are not necessarily equally-sized; (2) the Gaussian perturbations for different entries in the observation matrix are not necessarily independent or identically distributed. We prove necessary and sufficient conditions for the exact recovery of the maximum likelihood estimation (MLE), and discuss the cases when these necessary and sufficient conditions give sharp threshold. Applications include the community detection on a graph where the Gaussian perturbations of observations on each edge is the sum of i.i.d.~Gaussian random variables on its end vertices, in which we explicitly obtain the threshold for the exact recovery of the MLE.  ( 2 min )

As a valid metric of metric-measure spaces, Gromov-Wasserstein (GW) distance has shown the potential for matching problems of structured data like point clouds and graphs. However, its application in practice is limited due to its high computational complexity. To overcome this challenge, we propose a novel importance sparsification method, called Spar-GW, to approximate GW distance efficiently. In particular, instead of considering a dense coupling matrix, our method leverages a simple but effective sampling strategy to construct a sparse coupling matrix and update it with few computations. We demonstrate that the proposed Spar-GW method is applicable to the GW distance with arbitrary ground cost, and it reduces the complexity from $\mathcal{O}(n^4)$ to $\mathcal{O}(n^{2+\delta})$ for an arbitrary small $\delta>0$. In addition, this method can be extended to approximate the variants of GW distance, including the entropic GW distance, the fused GW distance, and the unbalanced GW distance. Experiments show the superiority of our Spar-GW to state-of-the-art methods in both synthetic and real-world tasks.  ( 2 min )

Normalizing flows are powerful non-parametric statistical models that function as a hybrid between density estimators and generative models. Current learning algorithms for normalizing flows assume that data points are sampled independently, an assumption that is frequently violated in practice, which may lead to erroneous density estimation and data generation. We propose a likelihood objective of normalizing flows incorporating dependencies between the data points, for which we derive a flexible and efficient learning algorithm suitable for different dependency structures. We show that respecting dependencies between observations can improve empirical results on both synthetic and real-world data.  ( 2 min )

Training vision or language models on large datasets can take days, if not weeks. We show that averaging the weights of the k latest checkpoints, each collected at the end of an epoch, can speed up the training progression in terms of loss and accuracy by dozens of epochs, corresponding to time savings up to ~68 and ~30 GPU hours when training a ResNet50 on ImageNet and RoBERTa-Base model on WikiText-103, respectively. We also provide the code and model checkpoint trajectory to reproduce the results and facilitate research on reusing historical weights for faster convergence.  ( 2 min )

Inverse problems are paramount in Science and Engineering. In this paper, we consider the setup of Statistical Inverse Problem (SIP) and demonstrate how Stochastic Gradient Descent (SGD) algorithms can be used in the linear SIP setting. We provide consistency and finite sample bounds for the excess risk. We also propose a modification for the SGD algorithm where we leverage machine learning methods to smooth the stochastic gradients and improve empirical performance. We exemplify the algorithm in a setting of great interest nowadays: the Functional Linear Regression model. In this case we consider a synthetic data example and examples with a real data classification problem.  ( 2 min )

We consider reinforcement learning in an environment modeled by an episodic, finite, stage-dependent Markov decision process of horizon $H$ with $S$ states, and $A$ actions. The performance of an agent is measured by the regret after interacting with the environment for $T$ episodes. We propose an optimistic posterior sampling algorithm for reinforcement learning (OPSRL), a simple variant of posterior sampling that only needs a number of posterior samples logarithmic in $H$, $S$, $A$, and $T$ per state-action pair. For OPSRL we guarantee a high-probability regret bound of order at most $\widetilde{\mathcal{O}}(\sqrt{H^3SAT})$ ignoring $\text{poly}\log(HSAT)$ terms. The key novel technical ingredient is a new sharp anti-concentration inequality for linear forms which may be of independent interest. Specifically, we extend the normal approximation-based lower bound for Beta distributions by Alfers and Dinges [1984] to Dirichlet distributions. Our bound matches the lower bound of order $\Omega(\sqrt{H^3SAT})$, thereby answering the open problems raised by Agrawal and Jia [2017b] for the episodic setting.  ( 2 min )

In equivariant machine learning the idea is to restrict the learning to a hypothesis class where all the functions are equivariant with respect to some group action. Irreducible representations or invariant theory are typically used to parameterize the space of such functions. In this note, we explicate a general procedure, attributed to Malgrange, to express all polynomial maps between linear spaces that are equivariant with respect to the action of a group $G$, given a characterization of the invariant polynomials on a bigger space. The method also parametrizes smooth equivariant maps in the case that $G$ is a compact Lie group.  ( 2 min )

A critically important, ubiquitous, and yet poorly understood ingredient in modern deep networks (DNs) is batch normalization (BN), which centers and normalizes the feature maps. To date, only limited progress has been made understanding why BN boosts DN learning and inference performance; work has focused exclusively on showing that BN smooths a DN's loss landscape. In this paper, we study BN theoretically from the perspective of function approximation; we exploit the fact that most of today's state-of-the-art DNs are continuous piecewise affine (CPA) splines that fit a predictor to the training data via affine mappings defined over a partition of the input space (the so-called "linear regions"). {\em We demonstrate that BN is an unsupervised learning technique that -- independent of the DN's weights or gradient-based learning -- adapts the geometry of a DN's spline partition to match the data.} BN provides a "smart initialization" that boosts the performance of DN learning, because it adapts even a DN initialized with random weights to align its spline partition with the data. We also show that the variation of BN statistics between mini-batches introduces a dropout-like random perturbation to the partition boundaries and hence the decision boundary for classification problems. This per mini-batch perturbation reduces overfitting and improves generalization by increasing the margin between the training samples and the decision boundary.  ( 3 min )

We propose a novel group of Gaussian Process based algorithms for fast approximate optimal stopping of time series with specific applications to financial markets. We show that structural properties commonly exhibited by financial time series (e.g., the tendency to mean-revert) allow the use of Gaussian and Deep Gaussian Process models that further enable us to analytically evaluate optimal stopping value functions and policies. We additionally quantify uncertainty in the value function by propagating the price model through the optimal stopping analysis. We compare and contrast our proposed methods against a sampling-based method, as well as a deep learning based benchmark that is currently considered the state-of-the-art in the literature. We show that our family of algorithms outperforms benchmarks on three historical time series datasets that include intra-day and end-of-day equity asset prices as well as the daily US treasury yield curve rates.  ( 2 min )

We study the problem of training a two-layer neural network (NN) of arbitrary width using stochastic gradient descent (SGD) where the input $\boldsymbol{x}\in \mathbb{R}^d$ is Gaussian and the target $y \in \mathbb{R}$ follows a multiple-index model, i.e., $y=g(\langle\boldsymbol{u_1},\boldsymbol{x}\rangle,...,\langle\boldsymbol{u_k},\boldsymbol{x}\rangle)$ with a noisy link function $g$. We prove that the first-layer weights of the NN converge to the $k$-dimensional principal subspace spanned by the vectors $\boldsymbol{u_1},...,\boldsymbol{u_k}$ of the true model, when online SGD with weight decay is used for training. This phenomenon has several important consequences when $k \ll d$. First, by employing uniform convergence on this smaller subspace, we establish a generalization error bound of $\mathcal{O}(\sqrt{{kd}/{T}})$ after $T$ iterations of SGD, which is independent of the width of the NN. We further demonstrate that, SGD-trained ReLU NNs can learn a single-index target of the form $y=f(\langle\boldsymbol{u},\boldsymbol{x}\rangle) + \epsilon$ by recovering the principal direction, with a sample complexity linear in $d$ (up to log factors), where $f$ is a monotonic function with at most polynomial growth, and $\epsilon$ is the noise. This is in contrast to the known $d^{\Omega(p)}$ sample requirement to learn any degree $p$ polynomial in the kernel regime, and it shows that NNs trained with SGD can outperform the neural tangent kernel at initialization. Finally, we also provide compressibility guarantees for NNs using the approximate low-rank structure produced by SGD.  ( 3 min )

In many real-world inverse problems, only incomplete measurement data are available for training which can pose a problem for learning a reconstruction function. Indeed, unsupervised learning using a fixed incomplete measurement process is impossible in general, as there is no information in the nullspace of the measurement operator. This limitation can be overcome by using measurements from multiple operators. While this idea has been successfully applied in various applications, a precise characterization of the conditions for learning is still lacking. In this paper, we fill this gap by presenting necessary and sufficient conditions for learning the underlying signal model needed for reconstruction which indicate the interplay between the number of distinct measurement operators, the number of measurements per operator, the dimension of the model and the dimension of the signals. Furthermore, we propose a novel and conceptually simple unsupervised learning loss which only requires access to incomplete measurement data and achieves a performance on par with supervised learning when the sufficient condition is verified. We validate our theoretical bounds and demonstrate the advantages of the proposed unsupervised loss compared to previous methods via a series of experiments on various imaging inverse problems, such as accelerated magnetic resonance imaging, compressed sensing and image inpainting.  ( 3 min )

Acquiring labeled data is challenging in many machine learning applications with limited budgets. Active learning gives a procedure to select the most informative data points and improve data efficiency by reducing the cost of labeling. The info-max learning principle maximizing mutual information such as BALD has been successful and widely adapted in various active learning applications. However, this pool-based specific objective inherently introduces a redundant selection and further requires a high computational cost for batch selection. In this paper, we design and propose a new uncertainty measure, Balanced Entropy Acquisition (BalEntAcq), which captures the information balance between the uncertainty of underlying softmax probability and the label variable. To do this, we approximate each marginal distribution by Beta distribution. Beta approximation enables us to formulate BalEntAcq as a ratio between an augmented entropy and the marginalized joint entropy. The closed-form expression of BalEntAcq facilitates parallelization by estimating two parameters in each marginal Beta distribution. BalEntAcq is a purely standalone measure without requiring any relational computations with other data points. Nevertheless, BalEntAcq captures a well-diversified selection near the decision boundary with a margin, unlike other existing uncertainty measures such as BALD, Entropy, or Mean Standard Deviation (MeanSD). Finally, we demonstrate that our balanced entropy learning principle with BalEntAcq consistently outperforms well-known linearly scalable active learning methods, including a recently proposed PowerBALD, a simple but diversified version of BALD, by showing experimental results obtained from MNIST, CIFAR-100, SVHN, and TinyImageNet datasets.  ( 3 min )

The fundamental goal of self-supervised learning (SSL) is to produce useful representations of data without access to any labels for classifying the data. Modern methods in SSL, which form representations based on known or constructed relationships between samples, have been particularly effective at this task. Here, we aim to extend this framework to incorporate algorithms based on kernel methods where embeddings are constructed by linear maps acting on the feature space of a kernel. In this kernel regime, we derive methods to find the optimal form of the output representations for contrastive and non-contrastive loss functions. This procedure produces a new representation space with an inner product denoted as the induced kernel which generally correlates points which are related by an augmentation in kernel space and de-correlates points otherwise. We analyze our kernel model on small datasets to identify common features of self-supervised learning algorithms and gain theoretical insights into their performance on downstream tasks.  ( 2 min )

Diffusion models are a class of generative models that learn to synthesize samples by inverting a diffusion process that gradually maps data into noise. While these models have enjoyed great success recently, a full theoretical understanding of their observed properties is still lacking, in particular, their weak sensitivity to the choice of noise family and the role of adequate scheduling of noise levels for good synthesis. By identifying a correspondence between diffusion models and a well-known paradigm in cognitive science known as serial reproduction, whereby human agents iteratively observe and reproduce stimuli from memory, we show how the aforementioned properties of diffusion models can be explained as a natural consequence of this correspondence. We then complement our theoretical analysis with simulations that exhibit these key features. Our work highlights how classic paradigms in cognitive science can shed light on state-of-the-art machine learning problems.  ( 2 min )

Among the challenges not yet resolved for Counterfactual Explanations (CE), there are stability, synthesis of the various CE and the lack of plausibility/sparsity guarantees. From a more practical point of view, recent studies show that the prescribed counterfactual recourses are often not implemented exactly by the individuals and demonstrate that most state-of-the-art CE algorithms are very likely to fail in this noisy environment. To address these issues, we propose a probabilistic framework that gives a sparse local counterfactual rule for each observation: we provide rules that give a range of values that can change the decision with a given high probability instead of giving diverse CE. In addition, the recourses derived from these rules are robust by construction. These local rules are aggregated into a regional counterfactual rule to ensure the stability of the counterfactual explanations across observations. Our local and regional rules guarantee that the recourses are faithful to the data distribution because our rules use a consistent estimator of the probabilities of changing the decision based on a Random Forest. In addition, these probabilities give interpretable and sparse rules as we select the smallest set of variables having a given probability of changing the decision. Codes for computing our counterfactual rules are available, and we compare their relevancy with standard CE and recent similar attempts.  ( 3 min )

Sparse Principal Component Analysis is a cardinal technique for obtaining combinations of features, or principal components (PCs), that explain the variance of high-dimensional datasets in an interpretable manner. At its heart, this involves solving a sparsity and orthogonality constrained convex maximization problem, which is extremely computationally challenging. Most existing work address sparse PCA via heuristics such as iteratively computing one sparse PC and deflating the covariance matrix, which does not guarantee the orthogonality, let alone the optimality, of the resulting solution. We challenge this status by reformulating the orthogonality conditions as rank constraints and optimizing over the sparsity and rank constraints simultaneously. We design tight semidefinite relaxations and propose tractable second-order cone versions of these relaxations which supply high-quality upper bounds. We also design valid second-order cone inequalities which hold when each PC's individual sparsity is specified, and demonstrate that these inequalities tighten our relaxations significantly. Moreover, we propose exact methods and rounding mechanisms that exploit these relaxations' tightness to obtain solutions with a bound gap on the order of 1%-5% for real-world datasets with p = 100s or 1000s of features and r \in {2, 3} components. We investigate the performance of our methods in spiked covariance settings and demonstrate that simultaneously considering the orthogonality and sparsity constraints leads to improvements in the Area Under the ROC curve of 2%-8% compared to state-of-the-art deflation methods. All in all, our approach solves sparse PCA problems with multiple components to certifiable (near) optimality in a practically tractable fashion.  ( 3 min )

Distributional reinforcement learning~(RL) is a class of state-of-the-art algorithms that estimate the entire distribution of the total return rather than only its expectation. The empirical success of distributional RL is determined by the representation of return distributions and the choice of distribution divergence. In this paper, we propose a new class of \textit{Sinkhorn distributional RL~(SinkhornDRL)} algorithm that learns a finite set of statistics, i.e., deterministic samples, from each return distribution and then uses Sinkhorn iterations to evaluate the Sinkhorn distance between the current and target Bellmen distributions. Sinkhorn divergence features as the interpolation between the Wasserstein distance and Maximum Mean Discrepancy~(MMD). SinkhornDRL finds a sweet spot by taking advantage of the geometry of optimal transport-based distance and the unbiased gradient estimate property of MMD. Finally, compared to state-of-the-art algorithms, SinkhornDRL's competitive performance is demonstrated on the suit of 55 Atari games.  ( 2 min )

In this paper we present a world model, which learns causal features using the invariance principle. In particular, we use contrastive unsupervised learning to learn the invariant causal features, which enforces invariance across augmentations of irrelevant parts or styles of the observation. The world-model-based reinforcement learning methods independently optimize representation learning and the policy. Thus naive contrastive loss implementation collapses due to a lack of supervisory signals to the representation learning module. We propose an intervention invariant auxiliary task to mitigate this issue. Specifically, we utilize depth prediction to explicitly enforce the invariance and use data augmentation as style intervention on the RGB observation space. Our design leverages unsupervised representation learning to learn the world model with invariant causal features. Our proposed method significantly outperforms current state-of-the-art model-based and model-free reinforcement learning methods on out-of-distribution point navigation tasks on the iGibson dataset. Moreover, our proposed model excels at the sim-to-real transfer of our perception learning module. Finally, we evaluate our approach on the DeepMind control suite and enforce invariance only implicitly since depth is not available. Nevertheless, our proposed model performs on par with the state-of-the-art counterpart.  ( 2 min )

Learning mappings between infinite-dimensional function spaces has achieved empirical success in many disciplines of machine learning, including generative modeling, functional data analysis, causal inference, and multi-agent reinforcement learning. In this paper, we study the statistical limit of learning a Hilbert-Schmidt operator between two infinite-dimensional Sobolev reproducing kernel Hilbert spaces. We establish the information-theoretic lower bound in terms of the Sobolev Hilbert-Schmidt norm and show that a regularization that learns the spectral components below the bias contour and ignores the ones that are above the variance contour can achieve the optimal learning rate. At the same time, the spectral components between the bias and variance contours give us flexibility in designing computationally feasible machine learning algorithms. Based on this observation, we develop a multilevel kernel operator learning algorithm that is optimal when learning linear operators between infinite-dimensional function spaces.  ( 2 min )

Kernel Regularized Least Squares (KRLS) is a popular method for flexibly estimating models that may have complex relationships between variables. However, its usefulness to many researchers is limited for two reasons. First, existing approaches are inflexible and do not allow KRLS to be combined with theoretically-motivated extensions such as fixed effects or non-linear outcomes. Second, estimation is extremely computationally intensive for even modestly sized datasets. Our paper addresses both concerns by introducing generalized KRLS (gKRLS). We note that KRLS can be re-formulated as a hierarchical model thereby allowing easy inference and modular model construction. Computationally, we also implement random sketching to dramatically accelerate estimation while incurring a limited penalty in estimation quality. We demonstrate that gKRLS can be fit on datasets with tens of thousands of observations in under one minute. Further, state-of-the-art techniques that require fitting the model over a dozen times (e.g. meta-learners) can be estimated quickly.  ( 2 min )

Project page: https://dreamfusion3d.github.io/ Paper: https://drive.google.com/file/d/1YC8xQSjxz7r8qyQY6LTuzC9L1AVU5O8V/view?usp=sharing submitted by /u/levng [link] [comments]  ( 103 min )

submitted by /u/OnlyProggingForFun [link] [comments]  ( 102 min )

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submitted by /u/redtailboas [link] [comments]  ( 102 min )

https://create.starryai.com/user/Falconess/creation/712339983/ Like and Follow!! submitted by /u/SkyHighArt [link] [comments]  ( 102 min )

Is there a working AI that allows you to find out if the text has the answer to the question? When you type a question into Google, it gives a short answer based on search results. Is there something similar available? submitted by /u/dortezy [link] [comments]  ( 107 min )

Hi, I work in data and starting also my foray into AI. One use case I'm beginning to explore is using CCTV and sensors to profile travelers e.g. cars, pedestrians for counting and profiling purposes i.e. car type, direction of travel, gender, devices used for purposes of understanding users and maybe identify potential merchant partners for nearby locations or ads What are the thoughts of the sub about this with respect to approach and methodology? Appreciate your opinion on where to start submitted by /u/saintmichel [link] [comments]  ( 102 min )

No human can catch up with all the papers published on one day in academic journals and no single human has a detailed overview of all scientific findings that have ever been published. So there may already be scientific findings by a lot of different scientists that can be put together to find a solution to a problem that we have. But no single scientist is aware of all of these findings, because the amount of information is just too big. Even if they collaborate and exchange knowledge, that is still only a tiny part of all the research ever published. If we trained an AI on say the whole PubMed database, would it be possible that the AI could come up with ways to treat diseases that we are currently not able to treat? I guess, it is probably not possible, but I was just having this idea so I thought I'd share it submitted by /u/greentea387 [link] [comments]  ( 103 min )

I've seen this video and read articles about deepfaking the voice of someone. Apparently, the software is already there and people immitate voices convincingly using just audio samples of someone talking, and I wonder how I can test that myself. I downloaded this GitHub project, and it works relatively well on the provided samples, but it doesn't work on random recordings from YouTube. Is there any free service I can use to clone voices and use them in text to speech? It wouldn't even matter how much data was required, I'd be willing to download hunderts of hours of YouTube videos and feed it to the AI, if the results were promising. submitted by /u/empirestateisgreat [link] [comments]  ( 102 min )

I'm rather new to AI voices, and so I'm not totally sure what I'm doing. I want to use for videos a very specific voice I've heard a lot but don't know the name of. It is a British accent voice and used frequently in YouTube videos, but the only place I found it on was this website: British English Text to Speech | Play.ht where it called it "Logan". When I looked up that name I couldn't find any other websites for it. This website was particularly bad for my purposes, it wants me to pay $15 a month for more than 5 bits of AI voice a day, I can spare to lose a little money but I'm not paying that just for one voice. This website was much nicer: Uberduck - Make cool stuff with AI and text to speech , but I couldn't find any generic voices on it, and not the one I wanted Does anyone have any suggestions? submitted by /u/TloyCO [link] [comments]  ( 103 min )

Hi guys, i recently stumble upon this AI website https://tech-lagoon.com/imagechef/en/image-to-comic.html?reloaded=true I like this feature of turning image into manga style black and white/screentone, i have tried many alternative other than this website, but so far this one is the best i have ever seen. the problem is, the web is kind of buggy and sluggish, the function sometimes works, sometimes doesnt. when i try to contact the web owner, the contact form is broken, thus im unable to contact the web master. my question is, do you guys have any AI alternative that can produce manga style image from a picture just as good as this that i can run locally in my own machine ? really appreciated if you guys can help me point to the right direction best regards submitted by /u/uswin [link] [comments]  ( 102 min )

I finally had a chance to try out DALL·E 2 after using Stable Diffusion for free for awhile now. DALL·E 2 does have better coherence and slightly better results, but not enough to justify the cost. Hands and eyes are often misplaced, misshapen, or grotesque. I think we're a generation or two away from hands and eyes being resolved. I know that Google has upgraded their systems (more parameters and more tokens) to fix this issue but due to the pending legal battles for these AI art models they've never released those models to the public. In order to get an acceptable result it sometimes requires a few generations / variations which makes OpenAI's pricing model hard to stomach. I am being very picky as an AI model being able to convert text to images is mind blowing -- but it doesn't tak…  ( 104 min )

(Thank you to everyone who participated!) Some of the added features are: support for dataset poisoning detection for classification models (Spectral Signature Detection) support for several defenses (Gaussian Noise, Gaussian Augmentation, Reverse Sigmoid) support for the Kitti dataset format attacks and visualization for depth perception tasks webhook functionality to enable easy workflow automation performance improvement and more. If you haven't tested it so far, you can make an account and test out the updated version. Your feedback is really appreciated. You can sign up here https://www.navinfo.eu/services/cybersecurity/guardai/ and leave your feedback directly through the platform. Thank you! GuardAI We harness the power of AI and Cybersecurity to develop more secure and robust solutions. submitted by /u/GuardAITeam [link] [comments]  ( 103 min )

submitted by /u/encord_team [link] [comments]  ( 102 min )

Open AI has now removed the long wait time list and now all interested users can go ahead and get creating AI art. Have a pleasant day submitted by /u/Vixair-AI [link] [comments]  ( 105 min )

submitted by /u/TallAssociation0 [link] [comments]  ( 107 min )

Pls recommend me AI apps for art which are free with no limits submitted by /u/Waakaari [link] [comments]  ( 106 min )

Hey, I want to share a podcast with you that I found recently. They try to debunk a popular myth about machines only learning from large amounts of data, and share a use case of applying ML with a small dataset. What do you think about it? https://youtu.be/ZVen_YiGcuc submitted by /u/Data-Power [link] [comments]  ( 102 min )

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Occasionally it’s useful to find the day of the year. For example, today is 272nd day of 2022. How hard would it be to calculate the day of the year in your head? Each month has about 30 days, so the dth day of the mth month is approximately day 30(m – 1) + d […] Day of the year first appeared on John D. Cook.  ( 5 min )

Is it worth trying? How about its reputation? https://l4dc.seas.upenn.edu/ Based on its previous proceedings, it seems to be a nice conference. What do you think? submitted by /u/Blasphemer666 [link] [comments]  ( 113 min )

submitted by /u/gwern [link] [comments]  ( 102 min )

Sorry for asking another question Dueling Deep Q Networks. I think this paper is a tad bit more confusing than the usual. https://ai.stackexchange.com/q/37234/31755 submitted by /u/EffectiveDistinct828 [link] [comments]  ( 103 min )

So I want to create a small recommender system from reddit. This website is literally a playground for this sort of thing, since it is being updated in real time when users are making posts and comments. I've already sort of figured out how I could make an environment out of reddit, basically my agent would interact with a stream of data coming from some subreddit or multiple subreddit. PRAW can be used to create the streams. Now the issue here is that I'm not quite so sure who I would recommend things to, and what I should recommend. Generally speaking the easiest thing to do would be to recommend posts to people, but that seems so oblivious and boring. I'm a software engineer by trade, I've only recently begun to get into AI, and figuring this out is somewhat complicated for me. I have the idea that I want to build this model and then have it connect to a websocket API in Java and then to some other client so that it can show its progress in real time as well so that it can be made interactive. However, I'm sort of lost on what I should recommend or not recommend to people. Was wondering if anybody could give me any suggestions on possible things to use a recommender system for on reddit. submitted by /u/ThroawayX91 [link] [comments]  ( 113 min )

Looks like it only supports tf1, but the oldest version of tensorflow-macos is of tf2. I'm trying to run this for reference. submitted by /u/killerdrogo [link] [comments]  ( 112 min )

I have successfully trained GAIL-PPO with an expert, now I have some experiment data where the observations are easily captured, but the actions are hard and less accurate. Is it possible to just zero out all (expert and generator) actions before feeding them to the discriminator? what are your thoughts? Have anyone tried it before? I'm using SB3 with Imitation submitted by /u/Windgineer2 [link] [comments]  ( 102 min )

"import gym from gym.spaces import Discrete import random class MyClass(gym.Env): def __int__(self): self.action_space = Discrete(3) ... ... action = env.action_space.sample()" ​ Can someone help me why is it showing me "action = env.action_space.sample(). AttributeError: 'NoneType' object has no attribute 'sample'" error?? Also, I want to use action_space values in an if-else statement so can I? I guess if else do not accept discrete values. submitted by /u/Asleep-Ad4480 [link] [comments]  ( 115 min )

submitted by /u/OpenDILab [link] [comments]  ( 102 min )

The SimCLR paper does unsupervised contrastive learning to create image representations. 2 of the most important augmentations are: random cropping color jittering Color jittering makes sense: you want to make sure the model isn't just looking at the histograms of the colors as a shortcut. But why is random cropping necessary as an augmentation? submitted by /u/vanilla-acc [link] [comments]  ( 104 min )

Hello, I have a study here that lists different examples of salaries. 35 years, system administrator, 4 years of work experience, ... X thousand euros per year. Then I have another study comparing the states, one for age structure etc etc. If I have understood Artificial Intelligence correctly, it should be possible to make an input form, in which I can enter age etc etc and then a caclulated average value comes out. I have now downloaded the demo version of Tableu and created an account at Microsoft Azure for Machinelerning.... but somehow I can't find a start. Does anyone have any experience here? Is there e.g. something comparable for real estate or used cars or the like what I can copy and change accordingly? Greetings Dee3Doo submitted by /u/Deedreidoo [link] [comments]  ( 104 min )

I am looking for free software which can count items passing through a set boundary and can tell which direction they pass the boundary from. Is there any free software available which can do this? submitted by /u/Necropolizer [link] [comments]  ( 103 min )

Are we on the right path to AGI ? The progress in the field of narrow AI is undoubtedly insane, certainly there will be huge implementations in future where AI will be far more efficient and productive than humans on a particular task but at the direction where we are headed, why do I feel like it won't lead us to a super intelligence AGI supremacy ? May be we left something behind to make neurons that replicates how a living organism learns, adapts, changes or thinks by itself ? just a random thought, would love to hear you opinions. submitted by /u/tempting_atom [link] [comments]  ( 119 min )

Computer vision for drone or military applications are often impressive in term of accuracy , robustness. The in some industrial technologies Are their technologies ahead from the public versions ? Generally talking submitted by /u/adrienrsn [link] [comments]  ( 104 min )

Edit title : in your papers * Hey, I’ m a PhD student and the real contribution of the 2nd author of my papers is roughly reviewing for grammar stuff the pre-submission version of my papers ? Scientifically it is almost 0. I didn’t even mention the third or n-th name , which are co-authors only for politics/statistic reasons. And peoples surrounding me constate the same. Is that general for phd student/post doc ? submitted by /u/adrienrsn [link] [comments]  ( 121 min )

Could anybody recommend a nice github repository to start a project on image-to-image translation with diffusion-based models? We are starting this new project and ideally the model can handle a translation from 4-channel to 3-channel images of the same size. Thank you so much! submitted by /u/Blutjens [link] [comments]  ( 103 min )

A dog wearing a Superhero outfit with red cape flying through the sky https://makeavideo.studio/ submitted by /u/JClub [link] [comments]  ( 105 min )

Hello. I am looking for a way to improve sound of my previous recordings which have poor audio quality. Are there such AI models at the moment that can process the existing speech audio and improve its quality? We always see that there are ways to improve old movies quality but I wonder if there are such models to improve speech quality as well. submitted by /u/CeFurkan [link] [comments]  ( 117 min )

After 5+ years of working on data at Airbnb and managing thousands of pipelines for Mage users, we open-sourced our data pipeline tool: https://github.com/mage-ai/mage-ai https://preview.redd.it/kyb4090nktq91.png?width=1080&format=png&auto=webp&s=c9abfbffc7d61577b9576540d411f04e5c68c118 This tool’s core design principles are: 1. Easy developer experience 2. Engineering best practices built-in 3. Scaling is made simple 4. Data is a first-class citizen I’d love your feedback, thoughts, comments, etc. Also, I’m happy to hop on a Zoom call and help you get setup and give you an overview of the tool. Slack: https://mage.ai/chat submitted by /u/tchungry [link] [comments]  ( 106 min )

Hi, For those working with Rasa Framework, you may have noticed that the Rasa X (a CDD tool) community edition has been deprecated. Are there any open source alternatives that provide the same features as it? Also, Are there any Individual Developer Plans for their Rasa Enterprise product? If yes, could you please let me know how to enroll for that submitted by /u/Creative_Jellyfish53 [link] [comments]  ( 103 min )

For an upcoming project, I'm interested in learning a bit more about methods for adaptive sampling of data (e.g., where we regularly sample new data, with some control over which source the data is coming from). The two areas that deal with that sort of task (to my knowledge, which is very shallow in this area) are active learning and design of sequential experiments. However, after reading about both, I was a little unsure about how two describe the relations between those two areas. So I thought I'd ask the group here - would you say that one is a subset/example of the other? How would you say they are related/different? My *impression* so far is that it wouldn't be unreasonable to call optimal design of sequential experiments a subset of active learning, but I'd like to hear other peoples' takes on that. Also, if anyone has any relevant article/textbook recommendations, I always have room on my bookshelves. ;) Thanks in advance for any thoughts or advice! submitted by /u/malenkydroog [link] [comments]  ( 105 min )

Facebook's blog post: https://ai.facebook.com/blog/generative-ai-text-to-video/ Project URL: https://makeavideo.studio/ submitted by /u/hardmaru [link] [comments]  ( 103 min )

I have been particularly interested in generating synthetic datasets using stable diffusion for various machine learning purposes (and I also think this is going to be a big area). However, I started to run into problems trying to manage them or even know what was in them (since there is a large variance in the outputs for the same prompt). I think one compelling solution to this problem is using a semantic search system to query, store, and categorize the generated images. I did some experimentation (see below) to see how this could work on a synthetic dataset of 100k hot dogs. One other thing that really dawned on me as well was the progress with prompt engineering could really impact search and search query curation due to the shared models (i.e. CLIP). Anyway, the exploration is below and I would love to hear any feedback! Article: https://github.com/marqo-ai/marqo/blob/mainline/examples/StableDiffusion/hot-dog-100k.md Code: https://github.com/marqo-ai/marqo/blob/mainline/examples/StableDiffusion/hot-dog-100k.py submitted by /u/Jesse_marqo [link] [comments]  ( 106 min )

I hope I used the right tag, I am new here I am working on a paper about the use of machine learning in chemistry and have a problem. Sometimes I see authors only testing one model (Support vector machine) without testing other types of machine learning (Tree based, Regression based, etc.) What is the correct way? Could one test multiple types of machine learning models or is one enough? I expected that you always want to try different types of models on your problem, but I might be wrong submitted by /u/Feeling-Mammoth-5867 [link] [comments]  ( 106 min )

Text-Generator.io now pulls down and analyses images with text in them (as well as links and other types of images) https://text-generator.io/blog/document-question-answering submitted by /u/leepenkman [link] [comments]  ( 103 min )

I want to apply few shot learning with either Siamese network or prototypical network to perform image classification. My data consist of 2 classes good and bad objects, there are 700 samples for good object and 5 samples for bad object. I am confused how should I split my data for train, validate and test for few shot learning and how many tasks it should be? submitted by /u/JellyfishPretend447 [link] [comments]  ( 105 min )

How do you feel about reporting only the weighted average of precision, recall, F1, accuracy and roc/auc. Is that a good idea ? submitted by /u/javagarbagecollector [link] [comments]  ( 106 min )

Hey there, as the title goes, I need a face image restoration dataset for a small research idea I have in mind. Basically one with missing facial features or occluded facial features. Any help regarding where I might get one, or if one doesn't exist, how to generate one is greatly appreciated. Thanks. submitted by /u/StupidlyGenius0 [link] [comments]  ( 103 min )

I have created a repository where I do an alternative test for the regression task described in the Uber CoordConv paper. I just train all pixel positions, so there is no train-test split, since I couldn't get perfect results even on the train set (I haven't tried learning rate scheduling). The results indicate that if the model has downsampling in it, CoordConv degrades performance: learning is slower and the end result is the same. I assumed that the test as described in the blog post also had downsampling in it, but this is not the case. Unfortunately, this makes the test described there uninteresting, hence this alternative test. On the other hand, regular convolution seems to do a lot better than indicated in Uber's results. https://preview.redd.it/bog9spjibpq91.png?width=1700&format=png&auto=webp&s=e82d900f846486feb908170f47488f751a2e7271 Update: at the suggestion of dracheschreck I have added a model to the repository where all convolutions are CoordConvs. It tends to perform the worst. Results: https://preview.redd.it/hdmxcbscxtq91.png?width=1500&format=png&auto=webp&s=cf7a994e90bb336fbdb7a1254616bd7c8ec84f58 ​ submitted by /u/dineNshine [link] [comments]  ( 104 min )

The Myosuite challenge (https://sites.google.com/view/myochallenge) at NeurIPS2022 tests our ability to build and train policies for contact-rich manipulation skills. EvoTorch (evotorch.ai) makes it straightforward to apply evolutionary reinforcement learning to the challenge. We've included setup help, training and visualisation scripts, a baseline controller trained through the provided script and help for submission to the competition. Simply head to the public GitHub to get started: https://github.com/nnaisense/evotorch-myosuite-starter If you need any more help getting started, come talk to us on our slack Here's a video of the baseline controller that we've included: https://reddit.com/link/xqtyw6/video/10qwrq795pq91/player submitted by /u/NaturalGradient [link] [comments]  ( 89 min )

This post is co-authored by Salma Taoufiq and Harini Kannan from Sophos. As a leader in next-generation cybersecurity, Sophos strives to protect more than 500,000 organizations and millions of customers across over 150 countries against evolving threats. Powered by threat intelligence, machine learning (ML), and artificial intelligence from Sophos X-Ops, Sophos delivers a broad and […]  ( 10 min )

NVIDIA artists ran their engines at full throttle for the stunning Racer RTX demo, which debuted at last week’s GTC keynote, showcasing the power of NVIDIA Omniverse and the new GeForce RTX 4090 GPU. “Our goal was to create something that had never been done before,” said Gabriele Leone, creative director at NVIDIA, who led Read article > The post The Wheel Deal: ‘Racer RTX’ Demo Revs to Photorealistic Life, Built on NVIDIA Omniverse appeared first on NVIDIA Blog.  ( 6 min )

It’s good to be a GeForce NOW member. Genshin Impact’s new Version 3.1 update launches this GFN Thursday, just in time for the game’s second anniversary. Even better: GeForce NOW members can get an exclusive starter pack reward, perfect for their first steps in HoYoverse’s open-world adventure, action role-playing game. And don’t forget the nine Read article > The post All This and Mor-a Are Yours With Exclusive ‘Genshin Impact’ GeForce NOW Membership Reward appeared first on NVIDIA Blog.  ( 5 min )

Rockfall detection is a crucial procedure in the field of geology, which helps to reduce the associated risks. Currently, geologists identify rockfall events almost manually utilizing point cloud and imagery data obtained from different caption devices such as Terrestrial Laser Scanner or digital cameras. Multi-temporal comparison of the point clouds obtained with these techniques requires a tedious visual inspection to identify rockfall events which implies inaccuracies that depend on several factors such as human expertise and the sensibility of the sensors. This paper addresses this issue and provides an intelligent framework for rockfall event detection for any individual working in the intersection of the geology domain and decision support systems. The development of such an analysis framework poses significant research challenges and justifies intensive experimental analysis. In particular, we propose an intelligent system that utilizes multiple machine learning algorithms to detect rockfall clusters of point cloud data. Due to the extremely imbalanced nature of the problem, a plethora of state-of-the-art resampling techniques accompanied by multiple models and feature selection procedures are being investigated. Various machine learning pipeline combinations have been benchmarked and compared applying well-known metrics to be incorporated into our system. Specifically, we developed statistical and machine learning techniques and applied them to analyze point cloud data extracted from Terrestrial Laser Scanner in two distinct case studies, involving different geological contexts: the basaltic cliff of Castellfollit de la Roca and the conglomerate Montserrat Massif, both located in Spain. Our experimental data suggest that some of the above-mentioned machine learning pipelines can be utilized to detect rockfall incidents on mountain walls, with experimentally proven accuracy.  ( 3 min )

Due to the dominant position of deep learning (mostly deep neural networks) in various artificial intelligence applications, recently, ensemble learning based on deep neural networks (ensemble deep learning) has shown significant performances in improving the generalization of learning system. However, since modern deep neural networks usually have millions to billions of parameters, the time and space overheads for training multiple base deep learners and testing with the ensemble deep learner are far greater than that of traditional ensemble learning. Though several algorithms of fast ensemble deep learning have been proposed to promote the deployment of ensemble deep learning in some applications, further advances still need to be made for many applications in specific fields, where the developing time and computing resources are usually restricted or the data to be processed is of large dimensionality. An urgent problem needs to be solved is how to take the significant advantages of ensemble deep learning while reduce the required expenses so that many more applications in specific fields can benefit from it. For the alleviation of this problem, it is essential to know about how ensemble learning has developed under the era of deep learning. Thus, in this article, we present fundamental discussions focusing on data analyses of published works, methodologies, recent advances and unattainability of traditional ensemble learning and ensemble deep learning. We hope this article will be helpful to realize the intrinsic problems and technical challenges faced by future developments of ensemble learning under the era of deep learning.  ( 3 min )

The lottery ticket hypothesis (LTH) has attracted attention because it can explain why over-parameterized models often show high generalization ability. It is known that when we use iterative magnitude pruning (IMP), which is an algorithm to find sparse networks with high generalization ability that can be trained from the initial weights independently, called winning tickets, the initial large learning rate does not work well in deep neural networks such as ResNet. However, since the initial large learning rate generally helps the optimizer to converge to flatter minima, we hypothesize that the winning tickets have relatively sharp minima, which is considered a disadvantage in terms of generalization ability. In this paper, we confirm this hypothesis and show that the PAC-Bayesian theory can provide an explicit understanding of the relationship between LTH and generalization behavior. On the basis of our experimental findings that flatness is useful for improving accuracy and robustness to label noise and that the distance from the initial weights is deeply involved in winning tickets, we offer the PAC-Bayes bound using a spike-and-slab distribution to analyze winning tickets. Finally, we revisit existing algorithms for finding winning tickets from a PAC-Bayesian perspective and provide new insights into these methods.

Unsupervised domain adaptation (UDA) aims at learning a machine learning model using a labeled source domain that performs well on a similar yet different, unlabeled target domain. UDA is important in many applications such as medicine, where it is used to adapt risk scores across different patient cohorts. In this paper, we develop a novel framework for UDA of time series data, called CLUDA. Specifically, we propose a contrastive learning framework to learn contextual representations in multivariate time series, so that these preserve label information for the prediction task. In our framework, we further capture the variation in the contextual representations between source and target domain via a custom nearest-neighbor contrastive learning. To the best of our knowledge, ours is the first framework to learn domain-invariant, contextual representation for UDA of time series data. We evaluate our framework using a wide range of time series datasets to demonstrate its effectiveness and show that it achieves state-of-the-art performance for time series UDA.

GANs have two competing modules: the generator module is trained to generate new examples, and the discriminator module is trained to discriminate real examples from generated examples. The training procedure of GAN is modeled as a finitely repeated simultaneous game. Each module tries to increase its performance at every repetition of the base game (at every batch of training data) in a non-cooperative manner. We observed that each module can perform better and learn faster if training is modeled as an infinitely repeated simultaneous game. At every repetition of the base game (at every batch of training data) the stronger module (whose performance is increased or remains the same compared to the previous batch of training data) cooperates with the weaker module (whose performance is decreased compared to the previous batch of training data) and only the weaker module is allowed to increase its performance.

In this paper, we present two new algorithms for covariance estimation under concentrated differential privacy (zCDP). The first algorithm achieves a Frobenius error of $\tilde{O}(d^{1/4}\sqrt{\mathrm{tr}}/\sqrt{n} + \sqrt{d}/n)$, where $\mathrm{tr}$ is the trace of the covariance matrix. By taking $\mathrm{tr}=1$, this also implies a worst-case error bound of $\tilde{O}(d^{1/4}/\sqrt{n})$, which improves the standard Gaussian mechanism's $\tilde{O}(d/n)$ for the regime $d>\widetilde{\Omega}(n^{2/3})$. Our second algorithm offers a tail-sensitive bound that could be much better on skewed data. The corresponding algorithms are also simple and efficient. Experimental results show that they offer significant improvements over prior work.

From optimal transport to robust dimensionality reduction, a plethora of machine learning applications can be cast into the min-max optimization problems over Riemannian manifolds. Though many min-max algorithms have been analyzed in the Euclidean setting, it has proved elusive to translate these results to the Riemannian case. Zhang et al. [2022] have recently shown that geodesic convex concave Riemannian problems always admit saddle-point solutions. Inspired by this result, we study whether a performance gap between Riemannian and optimal Euclidean space convex-concave algorithms is necessary. We answer this question in the negative-we prove that the Riemannian corrected extragradient (RCEG) method achieves last-iterate convergence at a linear rate in the geodesically strongly-convex-concave case, matching the Euclidean result. Our results also extend to the stochastic or non-smooth case where RCEG and Riemanian gradient ascent descent (RGDA) achieve near-optimal convergence rates up to factors depending on curvature of the manifold.

We analyze deep ReLU neural networks trained with mini-batch Stochastic Gradient Descent (SGD) and weight decay. We show, both theoretically and empirically, that when training a neural network using SGD with weight decay and small batch size, the resulting weight matrices tend to be of small rank. Our analysis relies on a minimal set of assumptions; the neural networks may be arbitrarily wide or deep and may include residual connections, as well as convolutional layers. The same analysis implies the inherent presence of SGD "noise", defined as the inability of SGD to converge to a stationary point. In particular, we prove that SGD noise must always be present, even asymptotically, as long as we incorporate weight decay and the batch size is smaller than the total number of training samples.

K-FAC is a successful tractable implementation of Natural Gradient for Deep Learning, which nevertheless suffers from the requirement to compute the inverse of the Kronecker factors (through an eigen-decomposition). This can be very time-consuming (or even prohibitive) when these factors are large. In this paper, we theoretically show that, owing to the exponential-average construction paradigm of the Kronecker factors that is typically used, their eigen-spectrum must decay. We show numerically that in practice this decay is very rapid, leading to the idea that we could save substantial computation by only focusing on the first few eigen-modes when inverting the Kronecker-factors. Randomized Numerical Linear Algebra provides us with the necessary tools to do so. Numerical results show we obtain $\approx2.5\times$ reduction in per-epoch time and $\approx3.3\times$ reduction in time to target accuracy. We compare our proposed K-FAC sped-up versions with a more computationally efficient NG implementation, SENG, and observe we perform on par with it.

Frequency-domain simulation of seismic waves plays an important role in seismic inversion, but it remains challenging in large models. The recently proposed physics-informed neural network (PINN), as an effective deep learning method, has achieved successful applications in solving a wide range of partial differential equations (PDEs), and there is still room for improvement on this front. For example, PINN can lead to inaccurate solutions when PDE coefficients are non-smooth and describe structurally-complex media. In this paper, we solve the acoustic and visco-acoustic scattered-field wave equation in the frequency domain with PINN instead of the wave equation to remove source singularity. We first illustrate that non-smooth velocity models lead to inaccurate wavefields when no boundary conditions are implemented in the loss function. Then, we add the perfectly matched layer (PML) conditions in the loss function of PINN and design a quadratic neural network to overcome the detrimental effects of non-smooth models in PINN. We show that PML and quadratic neurons improve the results as well as attenuation and discuss the reason for this improvement. We also illustrate that a network trained during a wavefield simulation can be used to pre-train the neural network of another wavefield simulation after PDE-coefficient alteration and improve the convergence speed accordingly. This pre-training strategy should find application in iterative full waveform inversion (FWI) and time-lag target-oriented imaging when the model perturbation between two consecutive iterations or two consecutive experiments can be small.

The outpouring of various pre-trained models empowers knowledge distillation by providing abundant teacher resources, but there lacks a developed mechanism to utilize these teachers adequately. With a massive model repository composed of teachers pre-trained on diverse tasks, we must surmount two obstacles when using knowledge distillation to learn a new task. First, given a fixed computing budget, it is not affordable to try each teacher and train the student repeatedly, making it necessary to seek out the most contributive teacher precisely and efficiently. Second, semantic gaps exist between the teachers and the target student since they are trained on different tasks. Thus, we need to extract knowledge from a general label space that may be different from the student's. Faced with these two challenges, we study a new setting named selective cross-task distillation that includes teacher assessment and generalized knowledge reuse. We bridge the teacher's label space and the student's label space through optimal transport. The transportation cost from the teacher's prediction to the student's prediction measures the relatedness between two tasks and acts as an objective for distillation. Our method reuses cross-task knowledge from a distinct label space and efficiently assesses teachers without enumerating the model repository. Experiments demonstrate the effectiveness of our proposed method.

The absence of a conventional association between the cell-cell cohabitation and its emergent dynamics into cliques during development has hindered our understanding of how cell populations proliferate, differentiate, and compete, i.e. the cell ecology. With the recent advancement of the single-cell RNA-sequencing (RNA-seq), we can potentially describe such a link by constructing network graphs that characterize the similarity of the gene expression profiles of the cell-specific transcriptional programs, and analyzing these graphs systematically using the summary statistics informed by the algebraic topology. We propose the single-cell topological simplicial analysis (scTSA). Applying this approach to the single-cell gene expression profiles from local networks of cells in different developmental stages with different outcomes reveals a previously unseen topology of cellular ecology. These networks contain an abundance of cliques of single-cell profiles bound into cavities that guide the emergence of more complicated habitation forms. We visualize these ecological patterns with topological simplicial architectures of these networks, compared with the null models. Benchmarked on the single-cell RNA-seq data of zebrafish embryogenesis spanning 38,731 cells, 25 cell types and 12 time steps, our approach highlights the gastrulation as the most critical stage, consistent with consensus in developmental biology. As a nonlinear, model-independent, and unsupervised framework, our approach can also be applied to tracing multi-scale cell lineage, identifying critical stages, or creating pseudo-time series.

Taking inspiration from natural language embeddings, we present ASTROMER, a transformer-based model to create representations of light curves. ASTROMER was trained on millions of MACHO R-band samples, and it can be easily fine-tuned to match specific domains associated with downstream tasks. As an example, this paper shows the benefits of using pre-trained representations to classify variable stars. In addition, we provide a python library including all functionalities employed in this work. Our library includes the pre-trained models that can be used to enhance the performance of deep learning models, decreasing computational resources while achieving state-of-the-art results.

Graphical structures estimated by causal learning algorithms from time series data can provide highly misleading causal information if the causal timescale of the generating process fails to match the measurement timescale of the data. Although this problem has been recently recognized, practitioners have limited resources to respond to it, and so must continue using models that they know are likely misleading. Existing methods either (a) require that the difference between causal and measurement timescales is known; or (b) can handle only very small number of random variables when the timescale difference is unknown; or (c) apply to only pairs of variables, though with fewer assumptions about prior knowledge; or (d) return impractically too many solutions. This paper addresses all four challenges. We combine constraint programming with both theoretical insights into the problem structure and prior information about admissible causal interactions. The resulting system provides a practical approach that scales to significantly larger sets (>100) of random variables, does not require precise knowledge of the timescale difference, supports edge misidentification and parametric connection strengths, and can provide the optimum choice among many possible solutions. The cumulative impact of these improvements is gain of multiple orders of magnitude in speed and informativeness.

Learning powerful representations in bird's-eye-view (BEV) for perception tasks is trending and drawing extensive attention both from industry and academia. Conventional approaches for most autonomous driving algorithms perform detection, segmentation, tracking, etc., in a front or perspective view. As sensor configurations get more complex, integrating multi-source information from different sensors and representing features in a unified view come of vital importance. BEV perception inherits several advantages, as representing surrounding scenes in BEV is intuitive and fusion-friendly; and representing objects in BEV is most desirable for subsequent modules as in planning and/or control. The core problems for BEV perception lie in (a) how to reconstruct the lost 3D information via view transformation from perspective view to BEV; (b) how to acquire ground truth annotations in BEV grid; (c) how to formulate the pipeline to incorporate features from different sources and views; and (d) how to adapt and generalize algorithms as sensor configurations vary across different scenarios. In this survey, we review the most recent work on BEV perception and provide an in-depth analysis of different solutions. Moreover, several systematic designs of BEV approach from the industry are depicted as well. Furthermore, we introduce a full suite of practical guidebook to improve the performance of BEV perception tasks, including camera, LiDAR and fusion inputs. At last, we point out the future research directions in this area. We hope this report would shed some light on the community and encourage more research effort on BEV perception. We keep an active repository to collect the most recent work and provide a toolbox for bag of tricks at https://github.com/OpenPerceptionX/BEVPerception-Survey-Recipe.

Cables are commonplace in homes, hospitals, and industrial warehouses and are prone to tangling. This paper extends prior work on autonomously untangling long cables by introducing novel uncertainty quantification metrics and actions that interact with the cable to reduce perception uncertainty. We present Sliding and Grasping for Tangle Manipulation 2.0 (SGTM 2.0), a system that autonomously untangles cables approximately 3 meters in length with a bilateral robot using estimates of uncertainty at each step to inform actions. By interactively reducing uncertainty, Sliding and Grasping for Tangle Manipulation 2.0 (SGTM 2.0) reduces the number of state-resetting moves it must take, significantly speeding up run-time. Experiments suggest that SGTM 2.0 can achieve 83% untangling success on cables with 1 or 2 overhand and figure-8 knots, and 70% termination detection success across these configurations, outperforming SGTM 1.0 by 43% in untangling accuracy and 200% in full rollout speed. Supplementary material, visualizations, and videos can be found at sites.google.com/view/sgtm2.

K-Nearest Neighbors algorithm is one of the most used classifiers in terms of simplicity and performance. Although, when a dataset has many outliers or when it is small or unbalanced, KNN doesn't work well. This paper aims to propose a novel classifier, based on K-Nearest Neighbors which calculates the local means of every class using the Power Muirhead Mean operator to overcome alluded issues. We called our new algorithm Power Muirhead Mean K-Nearest Neighbors (PMM-KNN). Eventually, we used five well-known datasets to assess PMM-KNN performance. The research results demonstrate that the PMM-KNN has outperformed three state-of-the-art classification methods in all experiments.

Although overparameterized models have shown their success on many machine learning tasks, the accuracy could drop on the testing distribution that is different from the training one. This accuracy drop still limits applying machine learning in the wild. At the same time, importance weighting, a traditional technique to handle distribution shifts, has been demonstrated to have less or even no effect on overparameterized models both empirically and theoretically. In this paper, we propose importance tempering to improve the decision boundary and achieve consistently better results for overparameterized models. Theoretically, we justify that the selection of group temperature can be different under label shift and spurious correlation setting. At the same time, we also prove that properly selected temperatures can extricate the minority collapse for imbalanced classification. Empirically, we achieve state-of-the-art results on worst group classification tasks using importance tempering.

One of the challenges in analyzing learning algorithms is the circular entanglement between the objective value and the stochastic noise. This is also known as the "chicken and egg" phenomenon and traditionally, there is no principled way to tackle this issue. People solve the problem by utilizing the special structure of the dynamic, and hence the analysis would be difficult to generalize. In this work, we present a streamlined three-step recipe to tackle the "chicken and egg" problem and give a general framework for analyzing stochastic dynamics in learning algorithms. Our framework composes standard techniques from probability theory, such as stopping time and martingale concentration. We demonstrate the power and flexibility of our framework by giving a unifying analysis for three very different learning problems with the last iterate and the strong uniform high probability convergence guarantee. The problems are stochastic gradient descent for strongly convex functions, streaming principal component analysis, and linear bandit with stochastic gradient descent updates. We either improve or match the state-of-the-art bounds on all three dynamics.  ( 2 min )

We present an error-neural-modeling-based strategy for approximating two-dimensional curvature in the level-set method. Our main contribution is a redesigned hybrid solver [Larios-C\'ardenas and Gibou, J. Comput. Phys. (May 2022), 10.1016/j.jcp.2022.111291] that relies on numerical schemes to enable machine-learning operations on demand. In particular, our routine features double predicting to harness curvature symmetry invariance in favor of precision and stability. The core of this solver is a multilayer perceptron trained on circular- and sinusoidal-interface samples. Its role is to quantify the error in numerical curvature approximations and emit corrected estimates for select grid vertices along the free boundary. These corrections arise in response to preprocessed context level-set, curvature, and gradient data. To promote neural capacity, we have adopted sample negative-curvature normalization, reorientation, and reflection-based augmentation. In the same manner, our system incorporates dimensionality reduction, well-balancedness, and regularization to minimize outlying effects. Our training approach is likewise scalable across mesh sizes. For this purpose, we have introduced dimensionless parametrization and probabilistic subsampling during data production. Together, all these elements have improved the accuracy and efficiency of curvature calculations around under-resolved regions. In most experiments, our strategy has outperformed the numerical baseline at twice the number of redistancing steps while requiring only a fraction of the cost.  ( 3 min )

Graph Neural Networks (GNNs) have achieved unprecedented success in identifying categorical labels of graphs. However, most existing graph classification problems with GNNs follow the protocol of balanced data splitting, which misaligns with many real-world scenarios in which some classes have much fewer labels than others. Directly training GNNs under this imbalanced scenario may lead to uninformative representations of graphs in minority classes, and compromise the overall classification performance, which signifies the importance of developing effective GNNs towards handling imbalanced graph classification. Existing methods are either tailored for non-graph structured data or designed specifically for imbalanced node classification while few focus on imbalanced graph classification. To this end, we introduce a novel framework, Graph-of-Graph Neural Networks (G$^2$GNN), which alleviates the graph imbalance issue by deriving extra supervision globally from neighboring graphs and locally from stochastic augmentations of graphs. Globally, we construct a graph of graphs (GoG) based on kernel similarity and perform GoG propagation to aggregate neighboring graph representations. Locally, we employ topological augmentation via masking node features or dropping edges with self-consistency regularization to generate stochastic augmentations of each graph that improve the model generalibility. Extensive graph classification experiments conducted on seven benchmark datasets demonstrate our proposed G$^2$GNN outperforms numerous baselines by roughly 5\% in both F1-macro and F1-micro scores. The implementation of G$^2$GNN is available at https://github.com/YuWVandy/G2GNN}{https://github.com/YuWVandy/G2GNN  ( 3 min )

Crowd flow forecasting, which aims to predict the crowds entering or leaving certain regions, is a fundamental task in smart cities. One of the key properties of crowd flow data is periodicity: a pattern that occurs at regular time intervals, such as a weekly pattern. To capture such periodicity, existing studies either fuse the periodic hidden states into channels for networks to learn or apply extra periodic strategies to the network architecture. In this paper, we devise a novel periodic residual learning network (PRNet) for a better modeling of periodicity in crowd flow data. Unlike existing methods, PRNet frames the crowd flow forecasting as a periodic residual learning problem by modeling the variation between the inputs (the previous time period) and the outputs (the future time period). Compared to directly predicting crowd flows that are highly dynamic, learning more stationary deviation is much easier, which thus facilitates the model training. Besides, the learned variation enables the network to produce the residual between future conditions and its corresponding weekly observations at each time interval, and therefore contributes to substantially more accurate multi-step ahead predictions. Extensive experiments show that PRNet can be easily integrated into existing models to enhance their predictive performance.  ( 3 min )

We present a novel procedure for optimization based on the combination of efficient quantized tensor train representation and a generalized maximum matrix volume principle. We demonstrate the applicability of the new Tensor Train Optimizer (TTOpt) method for various tasks, ranging from minimization of multidimensional functions to reinforcement learning. Our algorithm compares favorably to popular evolutionary-based methods and outperforms them by the number of function evaluations or execution time, often by a significant margin.  ( 2 min )

Chaotic systems are notoriously challenging to predict because of their sensitivity to perturbations and errors due to time stepping. Despite this unpredictable behavior, for many dissipative systems the statistics of the long term trajectories are governed by an invariant measure supported on a set, known as the global attractor; for many problems this set is finite dimensional, even if the state space is infinite dimensional. For Markovian systems, the statistical properties of long-term trajectories are uniquely determined by the solution operator that maps the evolution of the system over arbitrary positive time increments. In this work, we propose a machine learning framework to learn the underlying solution operator for dissipative chaotic systems, showing that the resulting learned operator accurately captures short-time trajectories and long-time statistical behavior. Using this framework, we are able to predict various statistics of the invariant measure for the turbulent Kolmogorov Flow dynamics with Reynolds numbers up to 5000.  ( 2 min )

Learning to rank -- producing a ranked list of items specific to a query and with respect to a set of supervisory items -- is a problem of general interest. The setting we consider is one in which no analytic description of what constitutes a good ranking is available. Instead, we have a collection of representations and supervisory information consisting of a (target item, interesting items set) pair. We demonstrate analytically, in simulation, and in real data examples that learning to rank via combining representations using an integer linear program is effective when the supervision is as light as "these few items are similar to your item of interest." While this nomination task is quite general, for specificity we present our methodology from the perspective of vertex nomination in graphs. The methodology described herein is model agnostic.  ( 2 min )

Given the prevalence of large-scale graphs in real-world applications, the storage and time for training neural models have raised increasing concerns. To alleviate the concerns, we propose and study the problem of graph condensation for graph neural networks (GNNs). Specifically, we aim to condense the large, original graph into a small, synthetic and highly-informative graph, such that GNNs trained on the small graph and large graph have comparable performance. We approach the condensation problem by imitating the GNN training trajectory on the original graph through the optimization of a gradient matching loss and design a strategy to condense node futures and structural information simultaneously. Extensive experiments have demonstrated the effectiveness of the proposed framework in condensing different graph datasets into informative smaller graphs. In particular, we are able to approximate the original test accuracy by 95.3% on Reddit, 99.8% on Flickr and 99.0% on Citeseer, while reducing their graph size by more than 99.9%, and the condensed graphs can be used to train various GNN architectures.Code is released at https://github.com/ChandlerBang/GCond.  ( 3 min )

Recent results in the literature suggest that the penultimate (second-to-last) layer representations of neural networks that are trained for classification exhibit a clustering property called neural collapse (NC). We study the implicit bias of stochastic gradient descent (SGD) in favor of low-depth solutions when training deep neural networks. We characterize a notion of effective depth that measures the first layer for which sample embeddings are separable using the nearest-class center classifier. Furthermore, we hypothesize and empirically show that SGD implicitly selects neural networks of small effective depths. Secondly, while neural collapse emerges even when generalization should be impossible - we argue that the \emph{degree of separability} in the intermediate layers is related to generalization. We derive a generalization bound based on comparing the effective depth of the network with the minimal depth required to fit the same dataset with partially corrupted labels. Remarkably, this bound provides non-trivial estimations of the test performance. Finally, we empirically show that the effective depth of a trained neural network monotonically increases when increasing the number of random labels in data.  ( 3 min )

The problem of sparse multichannel blind deconvolution (S-MBD) arises frequently in many engineering applications such as radar/sonar/ultrasound imaging. To reduce its computational and implementation cost, we propose a compression method that enables blind recovery from much fewer measurements with respect to the full received signal in time. The proposed compression measures the signal through a filter followed by a subsampling, allowing for a significant reduction in implementation cost. We derive theoretical guarantees for the identifiability and recovery of a sparse filter from compressed measurements. Our results allow for the design of a wide class of compression filters. We, then, propose a data-driven unrolled learning framework to learn the compression filter and solve the S-MBD problem. The encoder is a recurrent inference network that maps compressed measurements into an estimate of sparse filters. We demonstrate that our unrolled learning method is more robust to choices of source shapes and has better recovery performance compared to optimization-based methods. Finally, in applications with limited data (fewshot learning), we highlight the superior generalization capability of unrolled learning compared to conventional deep learning.  ( 2 min )

We present CausalSim, a causal inference framework for unbiased trace-driven simulation. Current trace-driven simulators assume that the interventions being simulated (e.g., a new algorithm) would not affect the validity of the traces. However, real-world traces are often biased by the choices of algorithms made during trace collection, and hence replaying traces under an intervention may lead to incorrect results. CausalSim addresses this challenge by learning a causal model of the system dynamics and latent factors capturing the underlying system conditions during trace collection. It learns these models using an initial randomized control trial (RCT) under a fixed set of algorithms, and then applies them to remove biases from trace data when simulating new algorithms. Key to CausalSim is mapping unbiased trace-driven simulation to a tensor completion problem with extremely sparse observations. By exploiting a basic distributional invariance property present in RCT data, CausalSim enables a novel tensor completion method despite the sparsity of observations. Our extensive evaluation of CausalSim on both real and synthetic datasets, including more than ten months of real data from the Puffer video streaming system show it improves simulation accuracy, reducing errors by 53% and 61% on average compared to expert-designed and supervised learning baselines. Moreover, CausalSim provides markedly different insights about ABR algorithms compared to the biased baseline simulator, which we validate with a real deployment.  ( 3 min )

We study the estimation of causal parameters when not all confounders are observed and instead negative controls are available. Recent work has shown how these can enable identification and efficient estimation via two so-called bridge functions. In this paper, we tackle the primary challenge to causal inference using negative controls: the identification and estimation of these bridge functions. Previous work has relied on completeness conditions on these functions to identify the causal parameters and required uniqueness assumptions in estimation, and they also focused on parametric estimation of bridge functions. Instead, we provide a new identification strategy that avoids the completeness condition. And, we provide new estimators for these functions based on minimax learning formulations. These estimators accommodate general function classes such as Reproducing Kernel Hilbert Spaces and neural networks. We study finite-sample convergence results both for estimating bridge functions themselves and for the final estimation of the causal parameter under a variety of combinations of assumptions. We avoid uniqueness conditions on the bridge functions as much as possible.  ( 2 min )

This paper considers a multiblock nonsmooth nonconvex optimization problem with nonlinear coupling constraints. By developing the idea of using the information zone and adaptive regime proposed in [J. Bolte, S. Sabach and M. Teboulle, Nonconvex Lagrangian-based optimization: Monitoring schemes and global convergence, Mathematics of Operations Research, 43: 1210--1232, 2018], we propose a multiblock alternating direction method of multipliers for solving this problem. We specify the update of the primal variables by employing a majorization minimization procedure in each block update. An independent convergence analysis is conducted to prove the subsequential and global convergence of the generated sequence to a critical point of the augmented Lagrangian. We also establish iteration complexity and provide preliminary numerical results for the proposed algorithm.  ( 2 min )

In this work we initiate the study of the correspondence between $p$-adic statistical field theories (SFTs) and neural networks (NNs). In general quantum field theories over a $p$-adic spacetime can be formulated in a rigorous way. Nowadays these theories are considered just mathematical toy models for understanding the problems of the true theories. In this work we show these theories are deeply connected with the deep belief networks (DBNs). Hinton et al. constructed DBNs by stacking several restricted Boltzmann machines (RBMs). The purpose of this construction is to obtain a network with a hierarchical structure (a deep learning architecture). An RBM corresponds a certain spin glass, thus a DBN should correspond to an ultrametric (hierarchical) spin glass. A model of such system can be easily constructed by using $p$-adic numbers. In our approach, a $p$-adic SFT corresponds to a $p$-adic continuous DBN, and a discretization of this theory corresponds to a $p$-adic discrete DBN. We show that these last machines are universal approximators. In the $p$-adic framework, the correspondence between SFTs and NNs is not fully developed. We point out several open problems.  ( 2 min )

Transfer learning can be seen as a data- and compute-efficient alternative to training models from scratch. The emergence of rich model repositories, such as TensorFlow Hub, enables practitioners and researchers to unleash the potential of these models across a wide range of downstream tasks. As these repositories keep growing exponentially, efficiently selecting a good model for the task at hand becomes paramount. By carefully comparing various selection and search strategies, we realize that no single method outperforms the others, and hybrid or mixed strategies can be beneficial. Therefore, we propose SHiFT, the first downstream task-aware, flexible, and efficient model search engine for transfer learning. These properties are enabled by a custom query language SHiFT-QL together with a cost-based decision maker, which we empirically validate. Motivated by the iterative nature of machine learning development, we further support efficient incremental executions of our queries, which requires a careful implementation when jointly used with our optimizations.  ( 2 min )

When deploying machine learning models in high-stakes robotics applications, the ability to detect unsafe situations is crucial. Early warning systems can provide alerts when an unsafe situation is imminent (in the absence of corrective action). To reliably improve safety, these warning systems should have a provable false negative rate; i.e. of the situations that are unsafe, fewer than $\epsilon$ will occur without an alert. In this work, we present a framework that combines a statistical inference technique known as conformal prediction with a simulator of robot/environment dynamics, in order to tune warning systems to provably achieve an $\epsilon$ false negative rate using as few as $1/\epsilon$ data points. We apply our framework to a driver warning system and a robotic grasping application, and empirically demonstrate guaranteed false negative rate while also observing low false detection (positive) rate.  ( 2 min )

We present a novel hybrid strategy based on machine learning to improve curvature estimation in the level-set method. The proposed inference system couples enhanced neural networks with standard numerical schemes to compute curvature more accurately. The core of our hybrid framework is a switching mechanism that relies on well established numerical techniques to gauge curvature. If the curvature magnitude is larger than a resolution-dependent threshold, it uses a neural network to yield a better approximation. Our networks are multilayer perceptrons fitted to synthetic data sets composed of sinusoidal- and circular-interface samples at various configurations. To reduce data set size and training complexity, we leverage the problem's characteristic symmetry and build our models on just half of the curvature spectrum. These savings lead to a powerful inference system able to outperform any of its numerical or neural component alone. Experiments with stationary, smooth interfaces show that our hybrid solver is notably superior to conventional numerical methods in coarse grids and along steep interface regions. Compared to prior research, we have observed outstanding gains in precision after training the regression model with data pairs from more than a single interface type and transforming data with specialized input preprocessing. In particular, our findings confirm that machine learning is a promising venue for reducing or removing mass loss in the level-set method.  ( 3 min )

In this paper, we firstly extend the Fourier neural operator (FNO) to discovery the soliton mapping between two function spaces, where one is the fractional-order index space $\{\epsilon|\epsilon\in (0, 1)\}$ in the fractional integrable nonlinear wave equations while another denotes the solitonic solution function space. To be specific, the fractional nonlinear Schr\"{o}dinger (fNLS), fractional Korteweg-de Vries (fKdV), fractional modified Korteweg-de Vries (fmKdV) and fractional sine-Gordon (fsineG) equations proposed recently are studied in this paper. We present the train and evaluate progress by recording the train and test loss. To illustrate the accuracies, the data-driven solitons are also compared to the exact solutions. Moreover, we consider the influences of several critical factors (e.g., activation functions containing Relu$(x)$, Sigmoid$(x)$, Swish$(x)$ and $x\tanh(x)$, depths of fully connected layer) on the performance of the FNO algorithm. We also use a new activation function, namely, $x\tanh(x)$, which is not used in the field of deep learning. The results obtained in this paper may be useful to further understand the neural networks in the fractional integrable nonlinear wave systems and the mappings between two spaces.  ( 3 min )

Humour is a substantial element of human affect and cognition. Its automatic understanding can facilitate a more naturalistic human-device interaction and the humanisation of artificial intelligence. Current methods of humour detection are solely based on staged data making them inadequate for 'real-world' applications. We address this deficiency by introducing the novel Passau-Spontaneous Football Coach Humour (Passau-SFCH) dataset, comprising of about 11 hours of recordings. The Passau-SFCH dataset is annotated for the presence of humour and its dimensions (sentiment and direction) as proposed in Martin's Humor Style Questionnaire. We conduct a series of experiments, employing pretrained Transformers, convolutional neural networks, and expert-designed features. The performance of each modality (text, audio, video) for spontaneous humour recognition is analysed and their complementarity is investigated. Our findings suggest that for the automatic analysis of humour and its sentiment, facial expressions are most promising, while humour direction can be best modelled via text-based features. The results reveal considerable differences among various subjects, highlighting the individuality of humour usage and style. Further, we observe that a decision-level fusion yields the best recognition result. Finally, we make our code publicly available at https://www.github.com/EIHW/passau-sfch. The Passau-SFCH dataset is available upon request.  ( 3 min )

With the advances of the Internet of Things (IoT) and 5G/6G wireless communications, the paradigms of mobile computing have developed dramatically in recent years, from centralized mobile cloud computing to distributed fog computing and mobile edge computing (MEC). MEC pushes compute-intensive assignments to the edge of the network and brings resources as close to the endpoints as possible, addressing the shortcomings of mobile devices with regard to storage space, resource optimisation, computational performance and efficiency. Compared to cloud computing, as the distributed and closer infrastructure, the convergence of MEC with other emerging technologies, including the Metaverse, 6G wireless communications, artificial intelligence (AI), and blockchain, also solves the problems of network resource allocation, more network load as well as latency requirements. Accordingly, this paper investigates the computational paradigms used to meet the stringent requirements of modern applications. The application scenarios of MEC in mobile augmented reality (MAR) are provided. Furthermore, this survey presents the motivation of MEC-based Metaverse and introduces the applications of MEC to the Metaverse. Particular emphasis is given on a set of technical fusions mentioned above, e.g., 6G with MEC paradigm, MEC strengthened by blockchain, etc.  ( 3 min )

We propose a deep learning strategy to estimate the mean curvature of two-dimensional implicit interfaces in the level-set method. Our approach is based on fitting feed-forward neural networks to synthetic data sets constructed from circular interfaces immersed in uniform grids of various resolutions. These multilayer perceptrons process the level-set values from mesh points next to the free boundary and output the dimensionless curvature at their closest locations on the interface. Accuracy analyses involving irregular interfaces, in both uniform and adaptive grids, show that our models are competitive with traditional numerical schemes in the $L^1$ and $L^2$ norms. In particular, our neural networks approximate curvature with comparable precision in coarse resolutions, when the interface features steep curvature regions, and when the number of iterations to reinitialize the level-set function is small. Although the conventional numerical approach is more robust than our framework, our results have unveiled the potential of machine learning for dealing with computational tasks where the level-set method is known to experience difficulties. We also establish that an application-dependent map of local resolutions to neural models can be devised to estimate mean curvature more effectively than a universal neural network.

Tensor Robust Principal Component Analysis (TRPCA), which aims to recover a low-rank tensor corrupted by sparse noise, has attracted much attention in many real applications. This paper develops a new Global Weighted TRPCA method (GWTRPCA), which is the first approach simultaneously considers the significance of intra-frontal slice and inter-frontal slice singular values in the Fourier domain. Exploiting this global information, GWTRPCA penalizes the larger singular values less and assigns smaller weights to them. Hence, our method can recover the low-tubal-rank components more exactly. Moreover, we propose an effective adaptive weight learning strategy by a Modified Cauchy Estimator (MCE) since the weight setting plays a crucial role in the success of GWTRPCA. To implement the GWTRPCA method, we devise an optimization algorithm using an Alternating Direction Method of Multipliers (ADMM) method. Experiments on real-world datasets validate the effectiveness of our proposed method.

The statistical supervised learning framework assumes an input-output set with a joint probability distribution that is reliably represented by the training dataset. The learner is then required to output a prediction rule learned from the training dataset's input-output pairs. In this work, we provide meaningful insights into the asymptotic equipartition property (AEP) \citep{Shannon:1948} in the context of machine learning, and illuminate some of its potential ramifications for few-shot learning. We provide theoretical guarantees for reliable learning under the information-theoretic AEP, and for the generalization error with respect to the sample size. We then focus on a highly efficient recurrent neural net (RNN) framework and propose a reduced-entropy algorithm for few-shot learning. We also propose a mathematical intuition for the RNN as an approximation of a sparse coding solver. We verify the applicability, robustness, and computational efficiency of the proposed approach with image deblurring and optical coherence tomography (OCT) speckle suppression. Our experimental results demonstrate significant potential for improving learning models' sample efficiency, generalization, and time complexity, that can therefore be leveraged for practical real-time applications.

Adaptive Multi-Agent Systems (AMAS) transform dynamic problems into problems of local cooperation between agents. We present smapy, an ensemble based AMAS implementation for mobility prediction, whose agents are provided with machine learning models in addition to their cooperation rules. With a detailed methodology, we propose a framework to transform a classification problem into a cooperative tiling of the input variable space. We show that it is possible to use linear classifiers for online non-linear classification on three benchmark toy problems chosen for their different levels of linear separability, if they are integrated in a cooperative Multi-Agent structure. The results obtained show a significant improvement of the performance of linear classifiers in non-linear contexts in terms of classification accuracy and decision boundaries, thanks to the cooperative approach.

Medical image classification is one of the most critical problems in the image recognition area. One of the major challenges in this field is the scarcity of labelled training data. Additionally, there is often class imbalance in datasets as some cases are very rare to happen. As a result, accuracy in classification task is normally low. Deep Learning models, in particular, show promising results on image segmentation and classification problems, but they require very large datasets for training. Therefore, there is a need to generate more of synthetic samples from the same distribution. Previous work has shown that feature generation is more efficient and leads to better performance than corresponding image generation. We apply this idea in the Medical Imaging domain. We use transfer learning to train a segmentation model for the small dataset for which gold-standard class annotations are available. We extracted the learnt features and use them to generate synthetic features conditioned on class labels, using Auxiliary Classifier GAN (ACGAN). We test the quality of the generated features in a downstream classification task for brain tumors according to their severity level. Experimental results show a promising result regarding the validity of these generated features and their overall contribution to balancing the data and improving the classification class-wise accuracy.

Time-Series Forecasting is a powerful data modeling discipline that analyzes historical observations to predict future values of a time-series. It has been utilized in numerous applications, including but not limited to economics, meteorology, and health. In this paper, we use time-series forecasting techniques to model and predict the future incidence of chickenpox. To achieve this, we implement and simulate multiple models and data preprocessing techniques on a Hungary-collected dataset. We demonstrate that the LSTM model outperforms all other models in the vast majority of the experiments in terms of county-level forecasting, whereas the SARIMAX model performs best at the national level. We also demonstrate that the performance of the traditional data preprocessing method is inferior to that of the data preprocessing method that we have proposed.

Kidney is an essential organ in human body. It maintains homeostasis and removes harmful substances through urine. Renal cell carcinoma (RCC) is the most common form of kidney cancer. Around 90\% of all kidney cancers are attributed to RCC. Most harmful type of RCC is clear cell renal cell carcinoma (ccRCC) that makes up about 80\% of all RCC cases. Early and accurate detection of ccRCC is necessary to prevent further spreading of the disease in other organs. In this article, a detailed experimentation is done to identify important features which can aid in diagnosing ccRCC at different stages. The ccRCC dataset is obtained from The Cancer Genome Atlas (TCGA). A novel mutual information and ensemble based feature ranking approach considering the order of features obtained from 8 popular feature selection methods is proposed. Performance of the proposed method is evaluated by overall classification accuracy obtained using 2 different classifiers (ANN and SVM). Experimental results show that the proposed feature ranking method is able to attain a higher accuracy (96.6\% and 98.6\% using SVM and NN, respectively) for classifying different stages of ccRCC with a reduced feature set as compared to existing work. It is also to be noted that, out of 3 distinguishing features as mentioned by the existing TNM system (proposed by AJCC and UICC), our proposed method was able to select two of them (size of tumour, metastasis status) as the top-most ones. This establishes the efficacy of our proposed approach.

Nowadays, the development of information technology is growing rapidly. In the big data era, the privacy of personal information has been more pronounced. The major challenge is to find a way to guarantee that sensitive personal information is not disclosed while data is published and analyzed. Centralized differential privacy is established on the assumption of a trusted third-party data curator. However, this assumption is not always true in reality. As a new privacy preservation model, local differential privacy has relatively strong privacy guarantees. Although federated learning has relatively been a privacy-preserving approach for distributed learning, it still introduces various privacy concerns. To avoid privacy threats and reduce communication costs, in this article, we propose integrating federated learning and local differential privacy with momentum gradient descent to improve the performance of machine learning models.

Neural Posterior Estimation methods for simulation-based inference can be ill-suited for dealing with posterior distributions obtained by conditioning on multiple observations, as they may require a large number of simulator calls to yield accurate approximations. Neural Likelihood Estimation methods can naturally handle multiple observations, but require a separate inference step, which may affect their efficiency and performance. We introduce a new method for simulation-based inference that enjoys the benefits of both approaches. We propose to model the scores for the posterior distributions induced by individual observations, and introduce a sampling algorithm that combines the learned scores to approximately sample from the target efficiently.

Persistence diagrams (PDs), often characterized as sets of death and birth of homology class, have been known for providing a topological representation of a graph structure, which is often useful in machine learning tasks. Prior works rely on a single graph signature to construct PDs. In this paper, we explore the use of a family of multi-scale graph signatures to enhance the robustness of topological features. We propose a deep learning architecture to handle this set input. Experiments on benchmark graph classification datasets demonstrate that our proposed architecture outperforms other persistent homology-based methods and achieves competitive performance compared to state-of-the-art methods using graph neural networks. In addition, our approach can be easily applied to large size of input graphs as it does not suffer from limited scalability which can be an issue for graph kernel methods.

We propose a Bayesian generative model for incorporating prior domain knowledge into hierarchical topic modeling. Although embedded topic models (ETMs) and its variants have gained promising performance in text analysis, they mainly focus on mining word co-occurrence patterns, ignoring potentially easy-to-obtain prior topic hierarchies that could help enhance topic coherence. While several knowledge-based topic models have recently been proposed, they are either only applicable to shallow hierarchies or sensitive to the quality of the provided prior knowledge. To this end, we develop a novel deep ETM that jointly models the documents and the given prior knowledge by embedding the words and topics into the same space. Guided by the provided knowledge, the proposed model tends to discover topic hierarchies that are organized into interpretable taxonomies. Besides, with a technique for adapting a given graph, our extended version allows the provided prior topic structure to be finetuned to match the target corpus. Extensive experiments show that our proposed model efficiently integrates the prior knowledge and improves both hierarchical topic discovery and document representation.

Criminal recidivism models are tools that have gained widespread adoption by parole boards across the United States to assist with parole decisions. These models take in large amounts of data about an individual and then predict whether an individual would commit a crime if released on parole. Although such models are not the only or primary factor in making the final parole decision, questions have been raised about their accuracy, fairness, and interpretability. In this paper, various machine learning-based criminal recidivism models are created based on a real-world parole decision dataset from the state of Georgia in the United States. The recidivism models are comparatively evaluated for their accuracy, fairness, and interpretability. It is found that there are noted differences and trade-offs between accuracy, fairness, and being inherently interpretable. Therefore, choosing the best model depends on the desired balance between accuracy, fairness, and interpretability, as no model is perfect or consistently the best across different criteria.

Describing dynamic medical systems using machine learning is a challenging topic with a wide range of applications. In this work, the possibility of modeling the blood glucose level of diabetic patients purely on the basis of measured data is described. A combination of the influencing variables insulin and calories are used to find an interpretable model. The absorption speed of external substances in the human body depends strongly on external influences, which is why time-shifts are added for the influencing variables. The focus is put on identifying the best timeshifts that provide robust models with good prediction accuracy that are independent of other unknown external influences. The modeling is based purely on the measured data using Sparse Identification of Nonlinear Dynamics. A differential equation is determined which, starting from an initial value, simulates blood glucose dynamics. By applying the best model to test data, we can show that it is possible to simulate the long-term blood glucose dynamics using differential equations and few, influencing variables.

Adversarial training has been demonstrated to be one of the most effective remedies for defending adversarial examples, yet it often suffers from the huge robustness generalization gap on unseen testing adversaries, deemed as the \emph{adversarially robust generalization problem}. Despite the preliminary understandings devoted on adversarially robust generalization, little is known from the architectural perspective. Thus, this paper tries to bridge the gap by systematically examining the most representative architectures (e.g., Vision Transformers and CNNs). In particular, we first comprehensively evaluated \emph{20} adversarially trained architectures on ImageNette and CIFAR-10 datasets towards several adversaries (multiple $\ell_p$-norm adversarial attacks), and found that Vision Transformers (e.g., PVT, CoAtNet) often yield better adversarially robust generalization. To further understand what architectural ingredients favor adversarially robust generalization, we delve into several key building blocks and revealed the fact via the lens of Rademacher complexity that the higher weight sparsity contributes significantly towards the better adversarially robust generalization of Vision Transformers, which can be often achieved by attention layers. Our extensive studies discovered the close relationship between architectural design and adversarially robust generalization, and instantiated several important insights. We hope our findings could help to better understand the mechanism towards designing robust deep learning architectures.

In this paper, we study the application of DRL algorithms in the context of local navigation problems, in which a robot moves towards a goal location in unknown and cluttered workspaces equipped only with limited-range exteroceptive sensors, such as LiDAR. Collision avoidance policies based on DRL present some advantages, but they are quite susceptible to local minima, once their capacity to learn suitable actions is limited to the sensor range. Since most robots perform tasks in unstructured environments, it is of great interest to seek generalized local navigation policies capable of avoiding local minima, especially in untrained scenarios. To do so, we propose a novel reward function that incorporates map information gained in the training stage, increasing the agent's capacity to deliberate about the best course of action. Also, we use the SAC algorithm for training our ANN, which shows to be more effective than others in the state-of-the-art literature. A set of sim-to-sim and sim-to-real experiments illustrate that our proposed reward combined with the SAC outperforms the compared methods in terms of local minima and collision avoidance.

Traffic data chronically suffer from missing and corruption, leading to accuracy and utility reduction in subsequent Intelligent Transportation System (ITS) applications. Noticing the inherent low-rank property of traffic data, numerous studies formulated missing traffic data recovery as a low-rank tensor completion (LRTC) problem. Due to the non-convexity and discreteness of the rank minimization in LRTC, existing methods either replaced rank with convex surrogates that are quite far away from the rank function or approximated rank with nonconvex surrogates involving many parameters. In this study, we proposed a Parameter-Free Non-Convex Tensor Completion model (TC-PFNC) for traffic data recovery, in which a log-based relaxation term was designed to approximate tensor algebraic rank. Moreover, previous studies usually assumed the observations are reliable without any outliers. Therefore, we extended the TC-PFNC to a robust version (RTC-PFNC) by modeling potential traffic data outliers, which can recover the missing value from partial and corrupted observations and remove the anomalies in observations. The numerical solutions of TC-PFNC and RTC-PFNC were elaborated based on the alternating direction multiplier method (ADMM). The extensive experimental results conducted on four real-world traffic data sets demonstrated that the proposed methods outperform other state-of-the-art methods in both missing and corrupted data recovery. The code used in this paper is available at: https://github.com/YoungHe49/T-ITSPFNC.

We consider the problem of sequential sparse subset selections in an online learning setup. Assume that the set $[N]$ consists of $N$ distinct elements. On the $t^{\text{th}}$ round, a monotone reward function $f_t: 2^{[N]} \to \mathbb{R}_+,$ which assigns a non-negative reward to each subset of $[N],$ is revealed to a learner. The learner selects (perhaps randomly) a subset $S_t \subseteq [N]$ of $k$ elements before the reward function $f_t$ for that round is revealed $(k \leq N)$. As a consequence of its choice, the learner receives a reward of $f_t(S_t)$ on the $t^{\text{th}}$ round. The learner's goal is to design an online subset selection policy to maximize its expected cumulative reward accrued over a given time horizon. In this connection, we propose an online learning policy called SCore (Subset Selection with Core) that solves the problem for a large class of reward functions. The proposed SCore policy is based on a new concept of $\alpha$-Core, which is a generalization of the notion of Core from the cooperative game theory literature. We establish a learning guarantee for the SCore policy in terms of a new performance metric called $\alpha$-augmented regret. In this new metric, the power of the offline benchmark is suitably augmented compared to the online policy. We give several illustrative examples to show that a broad class of reward functions, including submodular, can be efficiently learned using the SCore policy. We also outline how the SCore policy can be used under a semi-bandit feedback model and conclude the paper with a number of open problems.

Text detection in natural scene images has applications for autonomous driving, navigation help for elderly and blind people. However, the research on Urdu text detection is usually hindered by lack of data resources. We have developed a dataset of scene images with Urdu text. We present the use of machine learning methods to perform detection of Urdu text from the scene images. We extract text regions using channel enhanced Maximally Stable Extremal Region (MSER) method. First, we classify text and noise based on their geometric properties. Next, we use a support vector machine for early discarding of non-text regions. To further remove the non-text regions, we use histogram of oriented gradients (HoG) features obtained and train a second SVM classifier. This improves the overall performance on text region detection within the scene images. To support research on Urdu text, We aim to make the data freely available for research use. We also aim to highlight the challenges and the research gap for Urdu text detection.

Most Graph Neural Networks (GNNs) predict the labels of unseen graphs by learning the correlation between the input graphs and labels. However, by presenting a graph classification investigation on the training graphs with severe bias, surprisingly, we discover that GNNs always tend to explore the spurious correlations to make decision, even if the causal correlation always exists. This implies that existing GNNs trained on such biased datasets will suffer from poor generalization capability. By analyzing this problem in a causal view, we find that disentangling and decorrelating the causal and bias latent variables from the biased graphs are both crucial for debiasing. Inspiring by this, we propose a general disentangled GNN framework to learn the causal substructure and bias substructure, respectively. Particularly, we design a parameterized edge mask generator to explicitly split the input graph into causal and bias subgraphs. Then two GNN modules supervised by causal/bias-aware loss functions respectively are trained to encode causal and bias subgraphs into their corresponding representations. With the disentangled representations, we synthesize the counterfactual unbiased training samples to further decorrelate causal and bias variables. Moreover, to better benchmark the severe bias problem, we construct three new graph datasets, which have controllable bias degrees and are easier to visualize and explain. Experimental results well demonstrate that our approach achieves superior generalization performance over existing baselines. Furthermore, owing to the learned edge mask, the proposed model has appealing interpretability and transferability. Code and data are available at: https://github.com/googlebaba/DisC.

Source code is essential for researchers to reproduce the methods and replicate the results of artificial intelligence (AI) papers. Some organizations and researchers manually collect AI papers with available source code to contribute to the AI community. However, manual collection is a labor-intensive and time-consuming task. To address this issue, we propose a method to automatically identify papers with available source code and extract their source code repository URLs. With this method, we find that 20.5% of regular papers of 10 top AI conferences published from 2010 to 2019 are identified as papers with available source code and that 8.1% of these source code repositories are no longer accessible. We also create the XMU NLP Lab README Dataset, the largest dataset of labeled README files for source code document research. Through this dataset, we have discovered that quite a few README files have no installation instructions or usage tutorials provided. Further, a large-scale comprehensive statistical analysis is made for a general picture of the source code of AI conference papers. The proposed solution can also go beyond AI conference papers to analyze other scientific papers from both journals and conferences to shed light on more domains.

In the era of a data-driven society with the ubiquity of Internet of Things (IoT) devices storing large amounts of data localized at different places, distributed learning has gained a lot of traction, however, assuming independent and identically distributed data (iid) across the devices. While relaxing this assumption that anyway does not hold in reality due to the heterogeneous nature of devices, federated learning (FL) has emerged as a privacy-preserving solution to train a collaborative model over non-iid data distributed across a massive number of devices. However, the appearance of malicious devices (attackers), who intend to corrupt the FL model, is inevitable due to unrestricted participation. In this work, we aim to identify such attackers and mitigate their impact on the model, essentially under a setting of bidirectional label flipping attacks with collusion. We propose two graph theoretic algorithms, based on Minimum Spanning Tree and k-Densest graph, by leveraging correlations between local models. Our FL model can nullify the influence of attackers even when they are up to 70% of all the clients whereas prior works could not afford more than 50% of clients as attackers. The effectiveness of our algorithms is ascertained through experiments on two benchmark datasets, namely MNIST and Fashion-MNIST, with overwhelming attackers. We establish the superiority of our algorithms over the existing ones using accuracy, attack success rate, and early detection round.

In reinforcement learning for safety-critical settings, it is often desirable for the agent to obey safety constraints at all points in time, including during training. We present a novel neurosymbolic approach called SPICE to solve this safe exploration problem. SPICE uses an online shielding layer based on symbolic weakest preconditions to achieve a more precise safety analysis than existing tools without unduly impacting the training process. We evaluate the approach on a suite of continuous control benchmarks and show that it can achieve comparable performance to existing safe learning techniques while incurring fewer safety violations. Additionally, we present theoretical results showing that SPICE converges to the optimal safe policy under reasonable assumptions.

Complementary-label learning (CLL) is a common application in the scenario of weak supervision. However, in real-world datasets, CLL encounters class-imbalanced training samples, where the quantity of samples of one class is significantly lower than those of other classes. Unfortunately, existing CLL approaches have yet to explore the problem of class-imbalanced samples, which reduces the prediction accuracy, especially in imbalanced classes. In this paper, we propose a novel problem setting to allow learning from class-imbalanced complementarily labeled samples for multi-class classification. Accordingly, to deal with this novel problem, we propose a new CLL approach, called Weighted Complementary-Label Learning (WCLL). The proposed method models a weighted empirical risk minimization loss by utilizing the class-imbalanced complementarily labeled information, which is also applicable to multi-class imbalanced training samples. Furthermore, the estimation error bound of the proposed method was derived to provide a theoretical guarantee. Finally, we do extensive experiments on widely-used benchmark datasets to validate the superiority of our method by comparing it with existing state-of-the-art methods.

Randomized Controlled Trials (RCTs) represent a gold standard when developing policy guidelines. However, RCTs are often narrow, and lack data on broader populations of interest. Causal effects in these populations are often estimated using observational datasets, which may suffer from unobserved confounding and selection bias. Given a set of observational estimates (e.g. from multiple studies), we propose a meta-algorithm that attempts to reject observational estimates that are biased. We do so using validation effects, causal effects that can be inferred from both RCT and observational data. After rejecting estimators that do not pass this test, we generate conservative confidence intervals on the extrapolated causal effects for subgroups not observed in the RCT. Under the assumption that at least one observational estimator is asymptotically normal and consistent for both the validation and extrapolated effects, we provide guarantees on the coverage probability of the intervals output by our algorithm. To facilitate hypothesis testing in settings where causal effect transportation across datasets is necessary, we give conditions under which a doubly-robust estimator of group average treatment effects is asymptotically normal, even when flexible machine learning methods are used for estimation of nuisance parameters. We illustrate the properties of our approach on semi-synthetic and real world datasets, and show that it compares favorably to standard meta-analysis techniques.

When a business sells to another business (B2B), the buying business is represented by a group of individuals, termed account, who collectively decide whether to buy. The seller advertises to each individual and interacts with them, mostly by digital means. The sales cycle is long, most often over a few months. There is heterogeneity among individuals belonging to an account in seeking information and hence the seller needs to score the interest of each individual over a long horizon to decide which individuals must be reached and when. Moreover, the buy decision rests with the account and must be scored to project the likelihood of purchase, a decision that is subject to change all the way up to the actual decision, emblematic of group decision making. We score decision of the account and its individuals in a dynamic manner. Dynamic scoring allows opportunity to influence different individual members at different time points over the long horizon. The dataset contains behavior logs of each individual's communication activities with the seller; but, there are no data on consultations among individuals which result in the decision. Using neural network architecture, we propose several ways to aggregate information from individual members' activities, to predict the group's collective decision. Multiple evaluations find strong model performance.

This research is intended to accomplish two goals: The first goal is to curate a large and information rich dataset that contains crucial and succinct summaries on the players' actions and positions and the back-and-forth travel patterns of the volleyball in professional and NCAA Div-I indoor volleyball games. While several prior studies have aimed to create similar datasets for other sports (e.g. badminton and soccer), creating such a dataset for indoor volleyball is not yet realized. The second goal is to introduce a volleyball descriptive language to fully describe the rally processes in the games and apply the language to our dataset. Based on the curated dataset and our descriptive sports language, we introduce three tasks for automated volleyball action and tactic analysis using our dataset: (1) Volleyball Rally Prediction, aimed at predicting the outcome of a rally and helping players and coaches improve decision-making in practice, (2) Setting Type and Hitting Type Prediction, to help coaches and players prepare more effectively for the game, and (3) Volleyball Tactics and Attacking Zone Statistics, to provide advanced volleyball statistics and help coaches understand the game and opponent's tactics better. We conducted case studies to show how experimental results can provide insights to the volleyball analysis community. Furthermore, experimental evaluation based on real-world data establishes a baseline for future studies and applications of our dataset and language. This study bridges the gap between the indoor volleyball field and computer science.

In intelligent manufacturing, the quality of machine translation engineering drawings will directly affect its manufacturing accuracy. Currently, most of the work is manually translated, greatly reducing production efficiency. This paper proposes an automatic translation method for welded structural engineering drawings based on Cyclic Generative Adversarial Networks (CycleGAN). The CycleGAN network model of unpaired transfer learning is used to learn the feature mapping of real welding engineering drawings to realize automatic translation of engineering drawings. U-Net and PatchGAN are the main network for the generator and discriminator, respectively. Based on removing the identity mapping function, a high-dimensional sparse network is proposed to replace the traditional dense network for the Cyclegan generator to improve noise robustness. Increase the residual block hidden layer to increase the resolution of the generated graph. The improved and fine-tuned network models are experimentally validated, computing the gap between real and generated data. It meets the welding engineering precision standard and solves the main problem of low drawing recognition efficiency in the welding manufacturing process. The results show. After training with our model, the PSNR, SSIM and MSE of welding engineering drawings reach about 44.89%, 99.58% and 2.11, respectively, which are superior to traditional networks in both training speed and accuracy.

We propose a deep learning method for the numerical solution of partial differential equations that arise as gradient flows. The method relies on the Brezis--Ekeland principle, which naturally defines an objective function to be minimized, and so is ideally suited for a machine learning approach using deep neural networks. We describe our approach in a general framework and illustrate the method with the help of an example implementation for the heat equation in space dimensions two to seven.

We present a framework to integrate tensor network (TN) methods with reinforcement learning (RL) for solving dynamical optimisation tasks. We consider the RL actor-critic method, a model-free approach for solving RL problems, and introduce TNs as the approximators for its policy and value functions. Our "actor-critic with tensor networks" (ACTeN) method is especially well suited to problems with large and factorisable state and action spaces. As an illustration of the applicability of ACTeN we solve the exponentially hard task of sampling rare trajectories in two paradigmatic stochastic models, the East model of glasses and the asymmetric simple exclusion process (ASEP), the latter being particularly challenging to other methods due to the absence of detailed balance. With substantial potential for further integration with the vast array of existing RL methods, the approach introduced here is promising both for applications in physics and to multi-agent RL problems more generally.

Convolutional neural network (CNN) becomes one of the most popular and prominent deep learning architectures for computer vision, but its black box feature hides the internal prediction process. For this reason, AI practitioners have shed light on explainable AI to provide the interpretability of the model behavior. In particular, class activation map (CAM) and Grad-CAM based methods have shown promise results, but they have architectural limitation or gradient computing burden. To resolve these, Score-CAM has been suggested as a gradient-free method, however, it requires more execution time compared to CAM or Grad-CAM based methods. Therefore, we propose a lightweight architecture and gradient free Reciprocal CAM (Recipro-CAM) by spatially masking the extracted feature maps to exploit the correlation between activation maps and network outputs. With the proposed method, we achieved the gains of 1:78 - 3:72% in the ResNet family compared to Score-CAM in Average Drop- Coherence-Complexity (ADCC) metric, excluding the VGG-16 (1:39% drop). In addition, Recipro-CAM exhibits a saliency map generation rate similar to Grad-CAM and approximately 148 times faster than Score-CAM.

Detection of offensive language in social media is one of the key challenges for social media. Researchers have proposed many advanced methods to accomplish this task. In this report, we try to use the learnings from their approach and incorporate our ideas to improve upon them. We have successfully achieved an accuracy of 74% in classifying offensive tweets. We also list upcoming challenges in the abusive content detection in the social media world.

Heavy equipment manufacturing splits specific contours in drawings and cuts sheet metal to scale for welding. Currently, most of the segmentation and extraction of weld map contours is achieved manually. Its efficiency is greatly reduced. Therefore, we propose a U-net-based contour segmentation and extraction method for welding engineering drawings. The contours of the parts required for engineering drawings can be automatically divided and blanked, which significantly improves manufacturing efficiency. U-net includes an encoder-decoder, which implements end-to-end mapping through semantic differences and spatial location feature information between the encoder and decoder. While U-net excels at segmenting medical images, our extensive experiments on the Welding Structural Diagram dataset show that the classic U-Net architecture falls short in segmenting welding engineering drawings. Therefore, we design a novel Channel Spatial Sequence Attention Module (CSSAM) and improve on the classic U-net. At the same time, vertical max pooling and average horizontal pooling are proposed. Pass the pooling operation through two equal convolutions into the CSSAM module. The output and the features before pooling are fused by semantic clustering, which replaces the traditional jump structure and effectively narrows the semantic gap between the encoder and the decoder, thereby improving the segmentation performance of welding engineering drawings. We use vgg16 as the backbone network. Compared with the classic U-net, our network has good performance in engineering drawing dataset segmentation.

Network analysis has been a powerful tool to unveil relationships and interactions among a large number of objects. Yet its effectiveness in accurately identifying important node-node interactions is challenged by the rapidly growing network size, with data being collected at an unprecedented granularity and scale. Common wisdom to overcome such high dimensionality is collapsing nodes into smaller groups and conducting connectivity analysis on the group level. Dividing efforts into two phases inevitably opens a gap in consistency and drives down efficiency. Consensus learning emerges as a new normal for common knowledge discovery with multiple data sources available. To this end, this paper features developing a unified framework of simultaneous grouping and connectivity analysis by combining multiple data sources. The algorithm also guarantees a statistically optimal estimator.

Machine learning is becoming ubiquitous. From financial to medicine, machine learning models are boosting decision-making processes and even outperforming humans in some tasks. This huge progress in terms of prediction quality does not however find a counterpart in the security of such models and corresponding predictions, where perturbations of fractions of the training set (poisoning) can seriously undermine the model accuracy. Research on poisoning attacks and defenses even predates the introduction of deep neural networks, leading to several promising solutions. Among them, ensemble-based defenses, where different models are trained on portions of the training set and their predictions are then aggregated, are getting significant attention, due to their relative simplicity and theoretical and practical guarantees. The work in this paper designs and implements a hash-based ensemble approach for ML robustness and evaluates its applicability and performance on random forests, a machine learning model proved to be more resistant to poisoning attempts on tabular datasets. An extensive experimental evaluation is carried out to evaluate the robustness of our approach against a variety of attacks, and compare it with a traditional monolithic model based on random forests.

The increasing prevalence of neural networks (NNs) in safety-critical applications calls for methods to certify safe behavior. This paper presents a backward reachability approach for safety verification of neural feedback loops (NFLs), i.e., closed-loop systems with NN control policies. While recent works have focused on forward reachability as a strategy for safety certification of NFLs, backward reachability offers advantages over the forward strategy, particularly in obstacle avoidance scenarios. Prior works have developed techniques for backward reachability analysis for systems without NNs, but the presence of NNs in the feedback loop presents a unique set of problems due to the nonlinearities in their activation functions and because NN models are generally not invertible. To overcome these challenges, we use existing forward NN analysis tools to efficiently find an over-approximation of the backprojection (BP) set, i.e., the set of states for which the NN control policy will drive the system to a given target set. We present frameworks for calculating BP over-approximations for both linear and nonlinear systems with control policies represented by feedforward NNs and propose computationally efficient strategies. We use numerical results from a variety of models to showcase the proposed algorithms, including a demonstration of safety certification for a 6D system.

Contrastive learning has recently achieved remarkable success in many domains including graphs. However contrastive loss, especially for graphs, requires a large number of negative samples which is unscalable and computationally prohibitive with a quadratic time complexity. Sub-sampling is not optimal and incorrect negative sampling leads to sampling bias. In this work, we propose a meta-node based approximation technique that can (a) proxy all negative combinations (b) in quadratic cluster size time complexity, (c) at graph level, not node level, and (d) exploit graph sparsity. By replacing node-pairs with additive cluster-pairs, we compute the negatives in cluster-time at graph level. The resulting Proxy approximated meta-node Contrastive (PamC) loss, based on simple optimized GPU operations, captures the full set of negatives, yet is efficient with a linear time complexity. By avoiding sampling, we effectively eliminate sample bias. We meet the criterion for larger number of samples, thus achieving block-contrastiveness, which is proven to outperform pair-wise losses. We use learnt soft cluster assignments for the meta-node constriction, and avoid possible heterophily and noise added during edge creation. Theoretically, we show that real world graphs easily satisfy conditions necessary for our approximation. Empirically, we show promising accuracy gains over state-of-the-art graph clustering on 6 benchmarks. Importantly, we gain substantially in efficiency; up to 3x in training time, 1.8x in inference time and over 5x in GPU memory reduction.

In this research, we develop machine learning models to predict future sensor readings of a waste-to-fuel plant, which would enable proactive control of the plant's operations. We developed models that predict sensor readings for 30 and 60 minutes into the future. The models were trained using historical data, and predictions were made based on sensor readings taken at a specific time. We compare three types of models: (a) a n\"aive prediction that considers only the last predicted value, (b) neural networks that make predictions based on past sensor data (we consider different time window sizes for making a prediction), and (c) a gradient boosted tree regressor created with a set of features that we developed. We developed and tested our models on a real-world use case at a waste-to-fuel plant in Canada. We found that approach (c) provided the best results, while approach (b) provided mixed results and was not able to outperform the n\"aive consistently.

Natural Language Inference (NLI) is a hot topic research in natural language processing, contradiction detection between sentences is a special case of NLI. This is considered a difficult NLP task which has a big influence when added as a component in many NLP applications, such as Question Answering Systems, text Summarization. Arabic Language is one of the most challenging low-resources languages in detecting contradictions due to its rich lexical, semantics ambiguity. We have created a data set of more than 12k sentences and named ArNLI, that will be publicly available. Moreover, we have applied a new model inspired by Stanford contradiction detection proposed solutions on English language. We proposed an approach to detect contradictions between pairs of sentences in Arabic language using contradiction vector combined with language model vector as an input to machine learning model. We analyzed results of different traditional machine learning classifiers and compared their results on our created data set (ArNLI) and on an automatic translation of both PHEME, SICK English data sets. Best results achieved using Random Forest classifier with an accuracy of 99%, 60%, 75% on PHEME, SICK and ArNLI respectively.

We define a novel neuro-symbolic framework, argumentative reward learning, which combines preference-based argumentation with existing approaches to reinforcement learning from human feedback. Our method improves prior work by generalising human preferences, reducing the burden on the user and increasing the robustness of the reward model. We demonstrate this with a number of experiments.

Graph contrastive learning (GCL) has been an emerging solution for graph self-supervised learning. The core principle of GCL is to reduce the distance between samples in the positive view, but increase the distance between samples in the negative view. While achieving promising performances, current GCL methods still suffer from two limitations: (1) uncontrollable validity of augmentation, that graph perturbation may produce invalid views against semantics and feature-topology correspondence of graph data; and (2) unreliable binary contrastive justification, that the positiveness and negativeness of the constructed views are difficult to be determined for non-euclidean graph data. To tackle the above limitations, we propose a new contrastive learning paradigm for graphs, namely Graph Soft-Contrastive Learning (GSCL), that conducts contrastive learning in a finer-granularity via ranking neighborhoods without any augmentations and binary contrastive justification. GSCL is built upon the fundamental assumption of graph proximity that connected neighbors are more similar than far-distant nodes. Specifically, we develop pair-wise and list-wise Gated Ranking infoNCE Loss functions to preserve the relative ranking relationship in the neighborhood. Moreover, as the neighborhood size exponentially expands with more hops considered, we propose neighborhood sampling strategies to improve learning efficiency. The extensive experimental results show that our proposed GSCL can consistently achieve state-of-the-art performances on various public datasets with comparable practical complexity to GCL.

Sleep stage recognition is crucial for assessing sleep and diagnosing chronic diseases. Deep learning models, such as Convolutional Neural Networks and Recurrent Neural Networks, are trained using grid data as input, making them not capable of learning relationships in non-Euclidean spaces. Graph-based deep models have been developed to address this issue when investigating the external relationship of electrode signals across different brain regions. However, the models cannot solve problems related to the internal relationships between segments of electrode signals within a specific brain region. In this study, we propose a Pearson correlation-based graph attention network, called PearNet, as a solution to this problem. Graph nodes are generated based on the spatial-temporal features extracted by a hierarchical feature extraction method, and then the graph structure is learned adaptively to build node connections. Based on our experiments on the Sleep-EDF-20 and Sleep-EDF-78 datasets, PearNet performs better than the state-of-the-art baselines.

With the growing use of information technology in all life domains, hacking has become more negatively effective than ever before. Also with developing technologies, attacks numbers are growing exponentially every few months and become more sophisticated so that traditional IDS becomes inefficient detecting them. This paper proposes a solution to detect not only new threats with higher detection rate and lower false positive than already used IDS, but also it could detect collective and contextual security attacks. We achieve those results by using Networking Chatbot, a deep recurrent neural network: Long Short Term Memory (LSTM) on top of Apache Spark Framework that has an input of flow traffic and traffic aggregation and the output is a language of two words, normal or abnormal. We propose merging the concepts of language processing, contextual analysis, distributed deep learning, big data, anomaly detection of flow analysis. We propose a model that describes the network abstract normal behavior from a sequence of millions of packets within their context and analyzes them in near real-time to detect point, collective and contextual anomalies. Experiments are done on MAWI dataset, and it shows better detection rate not only than signature IDS, but also better than traditional anomaly IDS. The experiment shows lower false positive, higher detection rate and better point anomalies detection. As for prove of contextual and collective anomalies detection, we discuss our claim and the reason behind our hypothesis. But the experiment is done on random small subsets of the dataset because of hardware limitations, so we share experiment and our future vision thoughts as we wish that full prove will be done in future by other interested researchers who have better hardware infrastructure than ours.

Estimating information-theoretic quantities such as entropy and mutual information is central to many problems in statistics and machine learning, but challenging in high dimensions. This paper presents estimators of entropy via inference (EEVI), which deliver upper and lower bounds on many information quantities for arbitrary variables in a probabilistic generative model. These estimators use importance sampling with proposal distribution families that include amortized variational inference and sequential Monte Carlo, which can be tailored to the target model and used to squeeze true information values with high accuracy. We present several theoretical properties of EEVI and demonstrate scalability and efficacy on two problems from the medical domain: (i) in an expert system for diagnosing liver disorders, we rank medical tests according to how informative they are about latent diseases, given a pattern of observed symptoms and patient attributes; and (ii) in a differential equation model of carbohydrate metabolism, we find optimal times to take blood glucose measurements that maximize information about a diabetic patient's insulin sensitivity, given their meal and medication schedule.

The exceptional progress in the field of machine learning (ML) in recent years has attracted a lot of interest in using this technology in aviation. Possible airborne applications of ML include safety-critical functions, which must be developed in compliance with rigorous certification standards of the aviation industry. Current certification standards for the aviation industry were developed prior to the ML renaissance without taking specifics of ML technology into account. There are some fundamental incompatibilities between traditional design assurance approaches and certain aspects of ML-based systems. In this paper, we analyze the current airborne certification standards and show that all objectives of the standards can be achieved for a low-criticality ML-based system if certain assumptions about ML development workflow are applied.

Affective speech analysis is an ongoing topic of research. A relatively new problem in this field is the analysis of vocal bursts, which are nonverbal vocalisations such as laughs or sighs. Current state-of-the-art approaches to address affective vocal burst analysis are mostly based on wav2vec2 or HuBERT features. In this paper, we investigate the use of the wav2vec successor data2vec in combination with a multitask learning pipeline to tackle different analysis problems at once. To assess the performance of our efficient multitask learning architecture, we participate in the 2022 ACII Affective Vocal Burst Challenge, showing that our approach substantially outperforms the baseline established there in three different subtasks.

Several training strategies and temporal models have been recently proposed for isolated word lip-reading in a series of independent works. However, the potential of combining the best strategies and investigating the impact of each of them has not been explored. In this paper, we systematically investigate the performance of state-of-the-art data augmentation approaches, temporal models and other training strategies, like self-distillation and using word boundary indicators. Our results show that Time Masking (TM) is the most important augmentation followed by mixup and Densely-Connected Temporal Convolutional Networks (DC-TCN) are the best temporal model for lip-reading of isolated words. Using self-distillation and word boundary indicators is also beneficial but to a lesser extent. A combination of all the above methods results in a classification accuracy of 93.4%, which is an absolute improvement of 4.6% over the current state-of-the-art performance on the LRW dataset. The performance can be further improved to 94.1% by pre-training on additional datasets. An error analysis of the various training strategies reveals that the performance improves by increasing the classification accuracy of hard-to-recognise words.

Online continual learning (OCL) aims to train neural networks incrementally from a non-stationary data stream with a single pass through data. Rehearsal-based methods attempt to approximate the observed input distributions over time with a small memory and revisit them later to avoid forgetting. Despite its strong empirical performance, rehearsal methods still suffer from a poor approximation of the loss landscape of past data with memory samples. This paper revisits the rehearsal dynamics in online settings. We provide theoretical insights on the inherent memory overfitting risk from the viewpoint of biased and dynamic empirical risk minimization, and examine the merits and limits of repeated rehearsal. Inspired by our analysis, a simple and intuitive baseline, Repeated Augmented Rehearsal (RAR), is designed to address the underfitting-overfitting dilemma of online rehearsal. Surprisingly, across four rather different OCL benchmarks, this simple baseline outperforms vanilla rehearsal by 9%-17% and also significantly improves state-of-the-art rehearsal-based methods MIR, ASER, and SCR. We also demonstrate that RAR successfully achieves an accurate approximation of the loss landscape of past data and high-loss ridge aversion in its learning trajectory. Extensive ablation studies are conducted to study the interplay between repeated and augmented rehearsal and reinforcement learning (RL) is applied to dynamically adjust the hyperparameters of RAR to balance the stability-plasticity trade-off online.

Graph Neural Networks (GNNs) have been successfully adopted in recommender systems by virtue of the message-passing that implicitly captures collaborative effect. Nevertheless, most of the existing message-passing mechanisms for recommendation are directly inherited from GNNs without scrutinizing whether the captured collaborative effect would benefit the prediction of user preferences. In this paper, we first analyze how message-passing captures the collaborative effect and propose a recommendation-oriented topological metric, Common Interacted Ratio (CIR), which measures the level of interaction between a specific neighbor of a node with the rest of its neighbors. After demonstrating the benefits of leveraging collaborations from neighbors with higher CIR, we propose a recommendation-tailored GNN, Collaboration-Aware Graph Convolutional Network (CAGCN), that goes beyond 1-Weisfeiler-Lehman(1-WL) test in distinguishing non-bipartite-subgraph-isomorphic graphs. Experiments on six benchmark datasets show that the best CAGCN variant outperforms the most representative GNN-based recommendation model, LightGCN, by nearly 10\% in Recall@20 and also achieves around 80\% speedup. Our code is publicly available at https://github.com/YuWVandy/CAGCN.

Clinical notes are an essential component of a health record. This paper evaluates how natural language processing (NLP) can be used to identify the risk of acute care use (ACU) in oncology patients, once chemotherapy starts. Risk prediction using structured health data (SHD) is now standard, but predictions using free-text formats are complex. This paper explores the use of free-text notes for the prediction of ACU instead of SHD. Deep Learning models were compared to manually engineered language features. Results show that SHD models minimally outperform NLP models; an l1-penalised logistic regression with SHD achieved a C-statistic of 0.748 (95%-CI: 0.735, 0.762), while the same model with language features achieved 0.730 (95%-CI: 0.717, 0.745) and a transformer-based model achieved 0.702 (95%-CI: 0.688, 0.717). This paper shows how language models can be used in clinical applications and underlines how risk bias is different for diverse patient groups, even using only free-text data.

Shape-constrained symbolic regression (SCSR) allows to include prior knowledge into data-based modeling. This inclusion allows to ensure that certain expected behavior is better reflected by the resulting models. The expected behavior is defined via constraints, which refer to the function form e.g. monotonicity, concavity, convexity or the models image boundaries. In addition to the advantage of obtaining more robust and reliable models due to defining constraints over the functions shape, the use of SCSR allows to find models which are more robust to noise and have a better extrapolation behavior. This paper presents a mutlicriterial approach to minimize the approximation error as well as the constraint violations. Explicitly the two algorithms NSGA-II and NSGA-III are implemented and compared against each other in terms of model quality and runtime. Both algorithms are capable of dealing with multiple objectives, whereas NSGA-II is a well established multi-objective approach performing well on instances with up-to 3 objectives. NSGA-III is an extension of the NSGA-II algorithm and was developed to handle problems with "many" objectives (more than 3 objectives). Both algorithms are executed on a selected set of benchmark instances from physics textbooks. The results indicate that both algorithms are able to find largely feasible solutions and NSGA-III provides slight improvements in terms of model quality. Moreover, an improvement in runtime can be observed using the many-objective approach.

The ability of continual learning systems to transfer knowledge from previously seen tasks in order to maximize performance on new tasks is a significant challenge for the field, limiting the applicability of continual learning solutions to realistic scenarios. Consequently, this study aims to broaden our understanding of transfer and its driving forces in the specific case of continual reinforcement learning. We adopt SAC as the underlying RL algorithm and Continual World as a suite of continuous control tasks. We systematically study how different components of SAC (the actor and the critic, exploration, and data) affect transfer efficacy, and we provide recommendations regarding various modeling options. The best set of choices, dubbed ClonEx-SAC, is evaluated on the recent Continual World benchmark. ClonEx-SAC achieves 87% final success rate compared to 80% of PackNet, the best method in the benchmark. Moreover, the transfer grows from 0.18 to 0.54 according to the metric provided by Continual World.

Semi-supervised few-shot learning consists in training a classifier to adapt to new tasks with limited labeled data and a fixed quantity of unlabeled data. Many sophisticated methods have been developed to address the challenges this problem comprises. In this paper, we propose a simple but quite effective approach to predict accurate negative pseudo-labels of unlabeled data from an indirect learning perspective, and then augment the extremely label-constrained support set in few-shot classification tasks. Our approach can be implemented in just few lines of code by only using off-the-shelf operations, yet it is able to outperform state-of-the-art methods on four benchmark datasets.

Black box models only provide results for deep learning tasks and lack informative details about how these results were obtained. In this paper, we propose a general theory that defines a variance tolerance factor (VTF) to interpret the neural networks by ranking the importance of features and constructing a novel architecture consisting of a base model and feature model to demonstrate its utility. Two feature importance ranking methods and a feature selection method based on the VTF are created. A thorough evaluation on synthetic, benchmark, and real datasets is provided.

Various Non-negative Matrix factorization (NMF) based methods add new terms to the cost function to adapt the model to specific tasks, such as clustering, or to preserve some structural properties in the reduced space (e.g., local invariance). The added term is mainly weighted by a hyper-parameter to control the balance of the overall formula to guide the optimization process towards the objective. The result is a parameterized NMF method. However, NMF method adopts unsupervised approaches to estimate the factorizing matrices. Thus, the ability to perform prediction (e.g. classification) using the new obtained features is not guaranteed. The objective of this work is to design an evolutionary framework to learn the hyper-parameter of the parameterized NMF and estimate the factorizing matrices in a supervised way to be more suitable for classification problems. Moreover, we claim that applying NMF-based algorithms separately to different class-pairs instead of applying it once to the whole dataset improves the effectiveness of the matrix factorization process. This results in training multiple parameterized NMF algorithms with different balancing parameter values. A cross-validation combination learning framework is adopted and a Genetic Algorithm is used to identify the optimal set of hyper-parameter values. The experiments we conducted on both real and synthetic datasets demonstrated the effectiveness of the proposed approach.

Few-shot learning with N-way K-shot scheme is an open challenge in machine learning. Many approaches have been proposed to tackle this problem, e.g., the Matching Networks and CLIP-Adapter. Despite that these approaches have shown significant progress, the mechanism of why these methods succeed has not been well explored. In this paper, we interpret these few-shot learning methods via causal mechanism. We show that the existing approaches can be viewed as specific forms of front-door adjustment, which is to remove the effects of confounders. Based on this, we introduce a general causal method for few-shot learning, which considers not only the relationship between examples but also the diversity of representations. Experimental results demonstrate the superiority of our proposed method in few-shot classification on various benchmark datasets. Code is available in the supplementary material.

Reinforcement learning (RL) has exceeded human performance in many synthetic settings such as video games and Go. However, real-world deployment of end-to-end RL models is less common, as RL models can be very sensitive to slight perturbation of the environment. The robust Markov decision process (MDP) framework -- in which the transition probabilities belong to an uncertainty set around a nominal model -- provides one way to develop robust models. While previous analysis shows RL algorithms are effective assuming access to a generative model, it remains unclear whether RL can be efficient under a more realistic online setting, which requires a careful balance between exploration and exploitation. In this work, we consider online robust MDP by interacting with an unknown nominal system. We propose a robust optimistic policy optimization algorithm that is provably efficient. To address the additional uncertainty caused by an adversarial environment, our model features a new optimistic update rule derived via Fenchel conjugates. Our analysis establishes the first regret bound for online robust MDPs.

Federated Learning (FL) is a distributed machine learning framework to alleviate the data silos, where decentralized clients collaboratively learn a global model without sharing their private data. However, the clients' Non-Independent and Identically Distributed (Non-IID) data negatively affect the trained model, and clients with different numbers of local updates may cause significant gaps to the local gradients in each communication round. In this paper, we propose a Federated Vectorized Averaging (FedVeca) method to address the above problem on Non-IID data. Specifically, we set a novel objective for the global model which is related to the local gradients. The local gradient is defined as a bi-directional vector with step size and direction, where the step size is the number of local updates and the direction is divided into positive and negative according to our definition. In FedVeca, the direction is influenced by the step size, thus we average the bi-directional vectors to reduce the effect of different step sizes. Then, we theoretically analyze the relationship between the step sizes and the global objective, and obtain upper bounds on the step sizes per communication round. Based on the upper bounds, we design an algorithm for the server and the client to adaptively adjusts the step sizes that make the objective close to the optimum. Finally, we conduct experiments on different datasets, models and scenarios by building a prototype system, and the experimental results demonstrate the effectiveness and efficiency of the FedVeca method.

In contrast to multi-label learning, label distribution learning characterizes the polysemy of examples by a label distribution to represent richer semantics. In the learning process of label distribution, the training data is collected mainly by manual annotation or label enhancement algorithms to generate label distribution. Unfortunately, the complexity of the manual annotation task or the inaccuracy of the label enhancement algorithm leads to noise and uncertainty in the label distribution training set. To alleviate this problem, we introduce the implicit distribution in the label distribution learning framework to characterize the uncertainty of each label value. Specifically, we use deep implicit representation learning to construct a label distribution matrix with Gaussian prior constraints, where each row component corresponds to the distribution estimate of each label value, and this row component is constrained by a prior Gaussian distribution to moderate the noise and uncertainty interference of the label distribution dataset. Finally, each row component of the label distribution matrix is transformed into a standard label distribution form by using the self-attention algorithm. In addition, some approaches with regularization characteristics are conducted in the training phase to improve the performance of the model.

With the shift towards on-device deep learning, ensuring a consistent behavior of an AI service across diverse compute platforms becomes tremendously important. Our work tackles the emergent problem of reducing predictive inconsistencies arising as negative flips: test samples that are correctly predicted by a less accurate model, but incorrectly by a more accurate one. We introduce REGression constrained Neural Architecture Search (REG-NAS) to design a family of highly accurate models that engender fewer negative flips. REG-NAS consists of two components: (1) A novel architecture constraint that enables a larger model to contain all the weights of the smaller one thus maximizing weight sharing. This idea stems from our observation that larger weight sharing among networks leads to similar sample-wise predictions and results in fewer negative flips; (2) A novel search reward that incorporates both Top-1 accuracy and negative flips in the architecture search metric. We demonstrate that \regnas can successfully find desirable architectures with few negative flips in three popular architecture search spaces. Compared to the existing state-of-the-art approach, REG-NAS enables 33-48% relative reduction of negative flips.

Linear time-invariant systems are very popular models in system theory and applications. A fundamental problem in system identification that remains rather unaddressed in extant literature is to leverage commonalities amongst related linear systems to estimate their transition matrices more accurately. To address this problem, the current paper investigates methods for jointly estimating the transition matrices of multiple systems. It is assumed that the transition matrices are unknown linear functions of some unknown shared basis matrices. We establish finite-time estimation error rates that fully reflect the roles of trajectory lengths, dimension, and number of systems under consideration. The presented results are fairly general and show the significant gains that can be achieved by pooling data across systems in comparison to learning each system individually. Further, they are shown to be robust against model misspecifications. To obtain the results, we develop novel techniques that are of interest for addressing similar joint-learning problems. They include tightly bounding estimation errors in terms of the eigen-structures of transition matrices, establishing sharp high probability bounds for singular values of dependent random matrices, and capturing effects of misspecified transition matrices as the systems evolve over time.

Deep neural network models are massively deployed on a wide variety of hardware platforms. This results in the appearance of new attack vectors that significantly extend the standard attack surface, extensively studied by the adversarial machine learning community. One of the first attack that aims at drastically dropping the performance of a model, by targeting its parameters (weights) stored in memory, is the Bit-Flip Attack (BFA). In this work, we point out several evaluation challenges related to the BFA. First of all, the lack of an adversary's budget in the standard threat model is problematic, especially when dealing with physical attacks. Moreover, since the BFA presents critical variability, we discuss the influence of some training parameters and the importance of the model architecture. This work is the first to present the impact of the BFA against fully-connected architectures that present different behaviors compared to convolutional neural networks. These results highlight the importance of defining robust and sound evaluation methodologies to properly evaluate the dangers of parameter-based attacks as well as measure the real level of robustness offered by a defense.

We study the robustness of conformal prediction, a powerful tool for uncertainty quantification, to label noise. Our analysis tackles both regression and classification problems, characterizing when and how it is possible to construct uncertainty sets that correctly cover the unobserved noiseless ground truth labels. Through stylized theoretical examples and practical experiments, we argue that naive conformal prediction covers the noiseless ground truth label unless the noise distribution is adversarially designed. This leads us to believe that correcting for label noise is unnecessary except for pathological data distributions or noise sources. In such cases, we can also correct for noise of bounded size in the conformal prediction algorithm in order to ensure correct coverage of the ground truth labels without score or data regularity.

POST-traumatic stress disorder (PTSD) is a chronic and debilitating mental condition that is developed in response to catastrophic life events, such as military combat, sexual assault, and natural disasters. PTSD is characterized by flashbacks of past traumatic events, intrusive thoughts, nightmares, hypervigilance, and sleep disturbance, all of which affect a person's life and lead to considerable social, occupational, and interpersonal dysfunction. The diagnosis of PTSD is done by medical professionals using self-assessment questionnaire of PTSD symptoms as defined in the Diagnostic and Statistical Manual of Mental Disorders (DSM). In this paper, and for the first time, we collected, annotated, and prepared for public distribution a new video database for automatic PTSD diagnosis, called PTSD in the wild dataset. The database exhibits "natural" and big variability in acquisition conditions with different pose, facial expression, lighting, focus, resolution, age, gender, race, occlusions and background. In addition to describing the details of the dataset collection, we provide a benchmark for evaluating computer vision and machine learning based approaches on PTSD in the wild dataset. In addition, we propose and we evaluate a deep learning based approach for PTSD detection in respect to the given benchmark. The proposed approach shows very promising results. Interested researcher can download a copy of PTSD-in-the wild dataset from: this http URL  ( 3 min )

We propose using a two-layered deployment of machine learning models to prevent adversarial attacks. The first layer determines whether the data was tampered, while the second layer solves a domain-specific problem. We explore three sets of features and three dataset variations to train machine learning models. Our results show clustering algorithms achieved promising results. In particular, we consider the best results were obtained by applying the DBSCAN algorithm to the structured structural similarity index measure computed between the images and a white reference image.

The paucity of labeled data is a typical challenge in the automotive industry. Annotating time-series measurements requires solid domain knowledge and in-depth exploratory data analysis, which implies a high labeling effort. Conventional Active Learning (AL) addresses this issue by actively querying the most informative instances based on the estimated classification probability and retraining the model iteratively. However, the learning efficiency strongly relies on the initial model, resulting in the trade-off between the size of the initial dataset and the query number. This paper proposes a novel Few-Shot Learning (FSL)-based AL framework, which addresses the trade-off problem by incorporating a Prototypical Network (ProtoNet) in the AL iterations. The results show an improvement, on the one hand, in the robustness to the initial model and, on the other hand, in the learning efficiency of the ProtoNet through the active selection of the support set in each iteration. This framework was validated on UCI HAR/HAPT dataset and a real-world braking maneuver dataset. The learning performance significantly surpasses traditional AL algorithms on both datasets, achieving 90% classification accuracy with 10% and 5% labeling effort, respectively.

Policy-gradient methods are widely used for learning control policies. They can be easily distributed to multiple workers and reach state-of-the-art results in many domains. Unfortunately, they exhibit large variance and subsequently suffer from high-sample complexity since they aggregate gradients over entire trajectories. At the other extreme, planning methods, like tree search, optimize the policy using single-step transitions that consider future lookahead. These approaches have been mainly considered for value-based algorithms. Planning-based algorithms require a forward model and are computationally intensive at each step, but are more sample efficient. In this work, we introduce SoftTreeMax, the first approach that integrates tree-search into policy gradient. Traditionally, gradients are computed for single state-action pairs. Instead, our tree-based policy structure leverages all gradients at the tree leaves in each environment step. This allows us to reduce the variance of gradients by three orders of magnitude and to benefit from better sample complexity compared with standard policy gradient. On Atari, SoftTreeMax demonstrates up to 5x better performance in faster run-time compared with distributed PPO.

Groundwater level prediction is an applied time series forecasting task with important social impacts to optimize water management as well as preventing some natural disasters: for instance, floods or severe droughts. Machine learning methods have been reported in the literature to achieve this task, but they are only focused on the forecast of the groundwater level at a single location. A global forecasting method aims at exploiting the groundwater level time series from a wide range of locations to produce predictions at a single place or at several places at a time. Given the recent success of global forecasting methods in prestigious competitions, it is meaningful to assess them on groundwater level prediction and see how they are compared to local methods. In this work, we created a dataset of 1026 groundwater level time series. Each time series is made of daily measurements of groundwater levels and two exogenous variables, rainfall and evapotranspiration. This dataset is made available to the communities for reproducibility and further evaluation. To identify the best configuration to effectively predict groundwater level for the complete set of time series, we compared different predictors including local and global time series forecasting methods. We assessed the impact of exogenous variables. Our result analysis shows that the best predictions are obtained by training a global method on past groundwater levels and rainfall data.

No existing spherical convolutional neural network (CNN) framework is both computationally scalable and rotationally equivariant. Continuous approaches capture rotational equivariance but are often prohibitively computationally demanding. Discrete approaches offer more favorable computational performance but at the cost of equivariance. We develop a hybrid discrete-continuous (DISCO) group convolution that is simultaneously equivariant and computationally scalable to high-resolution. While our framework can be applied to any compact group, we specialize to the sphere. Our DISCO spherical convolutions not only exhibit $\text{SO}(3)$ rotational equivariance but also a form of asymptotic $\text{SO}(3)/\text{SO}(2)$ rotational equivariance, which is more desirable for many applications (where $\text{SO}(n)$ is the special orthogonal group representing rotations in $n$-dimensions). Through a sparse tensor implementation we achieve linear scaling in number of pixels on the sphere for both computational cost and memory usage. For 4k spherical images we realize a saving of $10^9$ in computational cost and $10^4$ in memory usage when compared to the most efficient alternative equivariant spherical convolution. We apply the DISCO spherical CNN framework to a number of benchmark dense-prediction problems on the sphere, such as semantic segmentation and depth estimation, on all of which we achieve the state-of-the-art performance.

Dataloaders, in charge of moving data from storage into GPUs while training machine learning models, might hold the key to drastically improving the performance of training jobs. Recent advances have shown promise not only by considerably decreasing training time but also by offering new features such as loading data from remote storage like S3. In this paper, we are the first to distinguish the dataloader as a separate component in the Deep Learning (DL) workflow and to outline its structure and features. Finally, we offer a comprehensive comparison of the different dataloading libraries available, their trade-offs in terms of functionality, usability, and performance and the insights derived from them.

In the audio magnetotellurics (AMT) sounding data processing, the absence of sferic signals in some time ranges typically results in a lack of energy in the AMT dead band, which may cause unreliable resistivity estimate. We propose a deep convolutional neural network (CNN) to automatically recognize sferic signals from redundantly recorded data in a long time range and use them to compensate for the resistivity estimation. We train the CNN by using field time series data with different signal to noise rations that were acquired from different regions in mainland China. To solve the potential overfitting problem due to the limited number of sferic labels, we propose a training strategy that randomly generates training samples (with random data augmentations) while optimizing the CNN model parameters. We stop the training process and data generation until the training loss converges. In addition, we use a weighted binary cross-entropy loss function to solve the sample imbalance problem to better optimize the network, use multiple reasonable metrics to evaluate network performance, and carry out ablation experiments to optimally choose the model hyperparameters. Extensive field data applications show that our trained CNN can robustly recognize sferic signals from noisy time series for subsequent impedance estimation. The subsequent processing results show that our method can significantly improve S/N and effectively solve the problem of lack of energy in dead band. Compared to the traditional processing method without sferic compensation, our method can generate a smoother and more reasonable apparent resistivity-phase curves and depolarized phase tensor, correct the estimation error of sudden drop of high-frequency apparent resistivity and abnormal behavior of phase reversal, and finally better restore the real shallow subsurface resistivity structure.  ( 3 min )

Normalizing flows model complex probability distributions using maps obtained by composing invertible layers. Special linear layers such as masked and 1x1 convolutions play a key role in existing architectures because they increase expressive power while having tractable Jacobians and inverses. We propose a new family of invertible linear layers based on butterfly layers, which are known to theoretically capture complex linear structures including permutations and periodicity, yet can be inverted efficiently. This representational power is a key advantage of our approach, as such structures are common in many real-world datasets. Based on our invertible butterfly layers, we construct a new class of normalizing flow models called ButterflyFlow. Empirically, we demonstrate that ButterflyFlows not only achieve strong density estimation results on natural images such as MNIST, CIFAR-10, and ImageNet 32x32, but also obtain significantly better log-likelihoods on structured datasets such as galaxy images and MIMIC-III patient cohorts -- all while being more efficient in terms of memory and computation than relevant baselines.  ( 2 min )

Many visual phenomena suggest that humans use top-down generative or reconstructive processes to create visual percepts (e.g., imagery, object completion, pareidolia), but little is known about the role reconstruction plays in robust object recognition. We built an iterative encoder-decoder network that generates an object reconstruction and used it as top-down attentional feedback to route the most relevant spatial and feature information to feed-forward object recognition processes. We tested this model using the challenging out-of-distribution digit recognition dataset, MNIST-C, where 15 different types of transformation and corruption are applied to handwritten digit images. Our model showed strong generalization performance against various image perturbations, on average outperforming all other models including feedforward CNNs and adversarially trained networks. Our model is particularly robust to blur, noise, and occlusion corruptions, where shape perception plays an important role. Ablation studies further reveal two complementary roles of spatial and feature-based attention in robust object recognition, with the former largely consistent with spatial masking benefits in the attention literature (the reconstruction serves as a mask) and the latter mainly contributing to the model's inference speed (i.e., number of time steps to reach a certain confidence threshold) by reducing the space of possible object hypotheses. We also observed that the model sometimes hallucinates a non-existing pattern out of noise, leading to highly interpretable human-like errors. Our study shows that modeling reconstruction-based feedback endows AI systems with a powerful attention mechanism, which can help us understand the role of generating perception in human visual processing.  ( 3 min )

The pioneering method for unsupervised meta-learning, CACTUs, is a clustering-based approach with pseudo-labeling. This approach is model-agnostic and can be combined with supervised algorithms to learn from unlabeled data. However, it often suffers from label inconsistency or limited diversity, which leads to poor performance. In this work, we prove that the core reason for this is lack of a clustering-friendly property in the embedding space. We address this by minimizing the inter- to intra-class similarity ratio to provide clustering-friendly embedding features, and validate our approach through comprehensive experiments. Note that, despite only utilizing a simple clustering algorithm (k-means) in our embedding space to obtain the pseudo-labels, we achieve significant improvement. Moreover, we adopt a progressive evaluation mechanism to obtain more diverse samples in order to further alleviate the limited diversity problem. Finally, our approach is also model-agnostic and can easily be integrated into existing supervised methods. To demonstrate its generalization ability, we integrate it into two representative algorithms: MAML and EP. The results on three main few-shot benchmarks clearly show that the proposed method achieves significant improvement compared to state-of-the-art models. Notably, our approach also outperforms the corresponding supervised method in two tasks.  ( 2 min )

Recently, knowledge representation learning (KRL) is emerging as the state-of-the-art approach to process queries over knowledge graphs (KGs), wherein KG entities and the query are embedded into a latent space such that entities that answer the query are embedded close to the query. Yet, despite the intensive research on KRL, most existing studies either focus on homogenous KGs or assume KG completion tasks (i.e., inference of missing facts), while answering complex logical queries over KGs with multiple aspects (multi-view KGs) remains an open challenge. To bridge this gap, in this paper, we present ROMA, a novel KRL framework for answering logical queries over multi-view KGs. Compared with the prior work, ROMA departs in major aspects. (i) It models a multi-view KG as a set of overlaying sub-KGs, each corresponding to one view, which subsumes many types of KGs studied in the literature (e.g., temporal KGs). (ii) It supports complex logical queries with varying relation and view constraints (e.g., with complex topology and/or from multiple views); (iii) It scales up to KGs of large sizes (e.g., millions of facts) and fine-granular views (e.g., dozens of views); (iv) It generalizes to query structures and KG views that are unobserved during training. Extensive empirical evaluation on real-world KGs shows that \system significantly outperforms alternative methods.  ( 2 min )

Importance sampling (IS) is a powerful Monte Carlo (MC) methodology for approximating integrals, for instance in the context of Bayesian inference. In IS, the samples are simulated from the so-called proposal distribution, and the choice of this proposal is key for achieving a high performance. In adaptive IS (AIS) methods, a set of proposals is iteratively improved. AIS is a relevant and timely methodology although many limitations remain yet to be overcome, e.g., the curse of dimensionality in high-dimensional and multi-modal problems. Moreover, the Hamiltonian Monte Carlo (HMC) algorithm has become increasingly popular in machine learning and statistics. HMC has several appealing features such as its exploratory behavior, especially in high-dimensional targets, when other methods suffer. In this paper, we introduce the novel Hamiltonian adaptive importance sampling (HAIS) method. HAIS implements a two-step adaptive process with parallel HMC chains that cooperate at each iteration. The proposed HAIS efficiently adapts a population of proposals, extracting the advantages of HMC. HAIS can be understood as a particular instance of the generic layered AIS family with an additional resampling step. HAIS achieves a significant performance improvement in high-dimensional problems w.r.t. state-of-the-art algorithms. We discuss the statistical properties of HAIS and show its high performance in two challenging examples.  ( 3 min )

Multi-party computing (MPC) has been gaining popularity over the past years as a secure computing model, particularly for machine learning (ML) inference. Compared with its competitors, MPC has fewer overheads than homomorphic encryption (HE) and has a more robust threat model than hardware-based trusted execution environments (TEE) such as Intel SGX. Despite its apparent advantages, MPC protocols still pay substantial performance penalties compared to plaintext when applied to ML algorithms. The overhead is due to added computation and communication costs. For multiplications that are ubiquitous in ML algorithms, MPC protocols add 32x more computational costs and 1 round of broadcasting among MPC servers. Moreover, ML computations that have trivial costs in plaintext, such as Softmax, ReLU, and other non-linear operations become very expensive due to added communication. Those added overheads make MPC less palatable to deploy in real-time ML inference frameworks, such as speech translation. In this work, we present MPC-Pipe, an MPC pipeline inference technique that uses two ML-specific approaches. 1) inter-linear-layer pipeline and 2) inner layer pipeline. Those two techniques shorten the total inference runtime for machine learning models. Our experiments have shown to reduce ML inference latency by up to 12.6% when model weights are private and 14.48\% when model weights are public, compared to current MPC protocol implementations.  ( 3 min )

Surges that have been observed at different periods in the number of COVID-19 cases are associated with the emergence of multiple SARS-CoV-2 (Severe Acute Respiratory Virus) variants. The design of methods to support laboratory detection are crucial in the monitoring of these variants. Hence, in this paper, we develop a semi-automated method to design both forward and reverse primer sets to detect SARS-CoV-2 variants. To proceed, we train deep Convolution Neural Networks (CNNs) to classify labelled SARS-CoV-2 variants and identify partial genomic features needed for the forward and reverse Polymerase Chain Reaction (PCR) primer design. Our proposed approach supplements existing ones while promoting the emerging concept of neural network assisted primer design for PCR. Our CNN model was trained using a database of SARS-CoV-2 full-length genomes from GISAID and tested on a separate dataset from NCBI, with 98\% accuracy for the classification of variants. This result is based on the development of three different methods of feature extraction, and the selected primer sequences for each SARS-CoV-2 variant detection (except Omicron) were present in more than 95 \% of sequences in an independent set of 5000 same variant sequences, and below 5 \% in other independent datasets with 5000 sequences of each variant. In total, we obtain 22 forward and reverse primer pairs with flexible length sizes (18-25 base pairs) with an expected amplicon length ranging between 42 and 3322 nucleotides. Besides the feature appearance, in-silico primer checks confirmed that the identified primer pairs are suitable for accurate SARS-CoV-2 variant detection by means of PCR tests.  ( 3 min )

The combination of big data and deep learning is a world-shattering technology that can greatly impact any objective if used properly. With the availability of a large volume of health care datasets and progressions in deep learning techniques, systems are now well equipped to predict the future trend of any health problems. From the literature survey, we found the SVM was used to predict the heart failure rate without relating objective factors. Utilizing the intensity of important historical information in electronic health records (EHR), we have built a smart and predictive model utilizing long short-term memory (LSTM) and predict the future trend of heart failure based on that health record. Hence the fundamental commitment of this work is to predict the failure of the heart using an LSTM based on the patient's electronic medicinal information. We have analyzed a dataset containing the medical records of 299 heart failure patients collected at the Faisalabad Institute of Cardiology and the Allied Hospital in Faisalabad (Punjab, Pakistan). The patients consisted of 105 women and 194 men and their ages ranged from 40 and 95 years old. The dataset contains 13 features, which report clinical, body, and lifestyle information responsible for heart failure. We have found an increasing trend in our analysis which will contribute to advancing the knowledge in the field of heart stroke prediction.  ( 3 min )

A generic Gradient Boosting Machine called Trust-region Boosting (TRBoost) is presented for performing supervised machine learning tasks. Existing Gradient Boosting Machines (GBMs) have achieved state-of-the-art results on many problems. However, there are some difficulties to maintain a balance between performance and generality. The first-order algorithms are appropriate for more general loss functions than the second-order algorithms; while the performance is often not as good as the latter one. TRBoost generalizes GBMs based on the Trust-region algorithm to suit arbitrary loss functions while keeping up the good performance as the second-order algorithms. Several numerical experiments are conducted to confirm that TRBoost can get competitive results while offering additional benefits in convergence.  ( 2 min )

Deep learning has been demonstrated effective in many neuroimaging applications. However, in many scenarios the number of imaging sequences capturing information related to small vessel disease lesions is insufficient to support data-driven techniques. Additionally, cohort-based studies may not always have the optimal or essential imaging sequences for accurate lesion detection. Therefore, it is necessary to determine which of these imaging sequences are essential for accurate detection. In this study we aimed to find the optimal combination of magnetic resonance imaging (MRI) sequences for deep learning-based detection of enlarged perivascular spaces (ePVS). To this end, we implemented an effective light-weight U-Net adapted for ePVS detection and comprehensively investigated different combinations of information from susceptibility weighted imaging (SWI), fluid-attenuated inversion recovery (FLAIR), T1-weighted (T1w) and T2-weighted (T2w) MRI sequences. We conclude that T2w MRI is the most important for accurate ePVS detection, and the incorporation of SWI, FLAIR and T1w MRI in the deep neural network could make insignificant improvements in accuracy.  ( 2 min )

Deep Convolutional Neural Networks (CNNs) for image classification successively alternate convolutions and downsampling operations, such as pooling layers or strided convolutions, resulting in lower resolution features the deeper the network gets. These downsampling operations save computational resources and provide some translational invariance as well as a bigger receptive field at the next layers. However, an inherent side-effect of this is that high-level features, produced at the deep end of the network, are always captured in low resolution feature maps. The inverse is also true, as shallow layers always contain small scale features. In biomedical image analysis engineers are often tasked with classifying very small image patches which carry only a limited amount of information. By their nature, these patches may not even contain objects, with the classification depending instead on the detection of subtle underlying patterns with an unknown scale in the image's texture. In these cases every bit of information is valuable; thus, it is important to extract the maximum number of informative features possible. Driven by these considerations, we introduce a new CNN architecture which preserves multi-scale features from deep, intermediate, and shallow layers by utilizing skip connections along with consecutive contractions and expansions of the feature maps. Using a dataset of very low resolution patches from Pancreatic Ductal Adenocarcinoma (PDAC) CT scans we demonstrate that our network can outperform current state of the art models.  ( 3 min )

While the distribution patterns of cold-water corals, such as Paragorgia arborea, have received increasing attention in recent studies, little is known about their in situ activity patterns. In this paper, we examine polyp activity in P. arborea using machine learning techniques to analyze high-resolution time series data and photographs obtained from an autonomous lander cluster deployed in the Stjernsund, Norway. An interactive illustration of the models derived in this paper is provided online as supplementary material. We find that the best predictor of the degree of extension of the coral polyps is current direction with a lag of three hours. Other variables that are not directly associated with water currents, such as temperature and salinity, offer much less information concerning polyp activity. Interestingly, the degree of polyp extension can be predicted more reliably by sampling the laminar flows in the water column above the measurement site than by sampling the more turbulent flows in the direct vicinity of the corals. Our results show that the activity patterns of the P. arborea polyps are governed by the strong tidal current regime of the Stjernsund. It appears that P. arborea does not react to shorter changes in the ambient current regime but instead adjusts its behavior in accordance with the large-scale pattern of the tidal cycle itself in order to optimize nutrient uptake.  ( 3 min )

Simulating time-domain observations of gravitational wave (GW) detector environments will allow for a better understanding of GW sources, augment datasets for GW signal detection and help in characterizing the noise of the detectors, leading to better physics. This paper presents a novel approach to simulating fixed-length time-domain signals using a three-player Wasserstein Generative Adversarial Network (WGAN), called DVGAN, that includes an auxiliary discriminator that discriminates on the derivatives of input signals. An ablation study is used to compare the effects of including adversarial feedback from an auxiliary derivative discriminator with a vanilla two-player WGAN. We show that discriminating on derivatives can stabilize the learning of GAN components on 1D continuous signals during their training phase. This results in smoother generated signals that are less distinguishable from real samples and better capture the distributions of the training data. DVGAN is also used to simulate real transient noise events captured in the advanced LIGO GW detector.  ( 2 min )

Operating under real world conditions is challenging due to the possibility of a wide range of failures induced by partial observability. In relatively benign settings, such failures can be overcome by retrying or executing one of a small number of hand-engineered recovery strategies. By contrast, contact-rich sequential manipulation tasks, like opening doors and assembling furniture, are not amenable to exhaustive hand-engineering. To address this issue, we present a general approach for robustifying manipulation strategies in a sample-efficient manner. Our approach incrementally improves robustness by first discovering the failure modes of the current strategy via exploration in simulation and then learning additional recovery skills to handle these failures. To ensure efficient learning, we propose an online algorithm Value Upper Confidence Limit (Value-UCL) that selects what failure modes to prioritize and which state to recover to such that the expected performance improves maximally in every training episode. We use our approach to learn recovery skills for door-opening and evaluate them both in simulation and on a real robot with little fine-tuning. Compared to open-loop execution, our experiments show that even a limited amount of recovery learning improves task success substantially from 71\% to 92.4\% in simulation and from 75\% to 90\% on a real robot.  ( 2 min )

While fairness-aware machine learning algorithms have been receiving increasing attention, the focus has been on centralized machine learning, leaving decentralized methods underexplored. Federated Learning is a decentralized form of machine learning where clients train local models with a server aggregating them to obtain a shared global model. Data heterogeneity amongst clients is a common characteristic of Federated Learning, which may induce or exacerbate discrimination of unprivileged groups defined by sensitive attributes such as race or gender. In this work we propose FAIR-FATE: a novel FAIR FederATEd Learning algorithm that aims to achieve group fairness while maintaining high utility via a fairness-aware aggregation method that computes the global model by taking into account the fairness of the clients. To achieve that, the global model update is computed by estimating a fair model update using a Momentum term that helps to overcome the oscillations of noisy non-fair gradients. To the best of our knowledge, this is the first approach in machine learning that aims to achieve fairness using a fair Momentum estimate. Experimental results on four real-world datasets demonstrate that FAIR-FATE significantly outperforms state-of-the-art fair Federated Learning algorithms under different levels of data heterogeneity.  ( 2 min )

We design scalable neural networks adapted to translational symmetries in dynamical systems, capable of inferring untrained high-dimensional dynamics for different system sizes. We train these networks to predict the dynamics of delay-dynamical and spatio-temporal systems for a single size. Then, we drive the networks by their own predictions. We demonstrate that by scaling the size of the trained network, we can predict the complex dynamics for larger or smaller system sizes. Thus, the network learns from a single example and, by exploiting symmetry properties, infers entire bifurcation diagrams.  ( 2 min )

We study the transfer learning process between two linear regression problems. An important and timely special case is when the regressors are overparameterized and perfectly interpolate their training data. We examine a parameter transfer mechanism whereby a subset of the parameters of the target task solution are constrained to the values learned for a related source task. We analytically characterize the generalization error of the target task in terms of the salient factors in the transfer learning architecture, i.e., the number of examples available, the number of (free) parameters in each of the tasks, the number of parameters transferred from the source to target task, and the relation between the two tasks. Our non-asymptotic analysis shows that the generalization error of the target task follows a two-dimensional double descent trend (with respect to the number of free parameters in each of the tasks) that is controlled by the transfer learning factors. Our analysis points to specific cases where the transfer of parameters is beneficial as a substitute for extra overparameterization (i.e., additional free parameters in the target task). Specifically, we show that the usefulness of a transfer learning setting is fragile and depends on a delicate interplay among the set of transferred parameters, the relation between the tasks, and the true solution. We also demonstrate that overparameterized transfer learning is not necessarily more beneficial when the source task is closer or identical to the target task.  ( 3 min )

Defending against adversarial examples remains an open problem. A common belief is that randomness at inference increases the cost of finding adversarial inputs. An example of such a defense is to apply a random transformation to inputs prior to feeding them to the model. In this paper, we empirically and theoretically investigate such stochastic pre-processing defenses and demonstrate that they are flawed. First, we show that most stochastic defenses are weaker than previously thought; they lack sufficient randomness to withstand even standard attacks like projected gradient descent. This casts doubt on a long-held assumption that stochastic defenses invalidate attacks designed to evade deterministic defenses and force attackers to integrate the Expectation over Transformation (EOT) concept. Second, we show that stochastic defenses confront a trade-off between adversarial robustness and model invariance; they become less effective as the defended model acquires more invariance to their randomization. Future work will need to decouple these two effects. We also discuss implications and guidance for future research.  ( 2 min )

Recent studies have demonstrated the effectiveness of the combination of machine learning and logical reasoning, including data-driven logical reasoning, knowledge driven machine learning and abductive learning, in inventing advanced artificial intelligence technologies. One-step abductive multi-target learning (OSAMTL), an approach inspired by abductive learning, via simply combining machine learning and logical reasoning in a one-step balanced way, has as well shown its effectiveness in handling complex noisy labels of a single noisy sample in medical histopathology whole slide image analysis (MHWSIA). However, OSAMTL is not suitable for the situation where diverse noisy samples (DiNS) are provided for a learning task. In this paper, giving definition of DiNS, we propose one-step abductive multi-target learning with DiNS (OSAMTL-DiNS) to expand the original OSAMTL to handle complex noisy labels of DiNS. Applying OSAMTL-DiNS to tumour segmentation for breast cancer in MHWSIA, we show that OSAMTL-DiNS is able to enable various state-of-the-art approaches for learning from noisy labels to achieve more rational predictions.  ( 3 min )

We propose a \underline{d}oubly \underline{o}ptimistic strategy for the \underline{s}afe-\underline{l}inear-\underline{b}andit problem, DOSLB. The safe linear bandit problem is to optimise an unknown linear reward whilst satisfying unknown round-wise safety constraints on actions, using stochastic bandit feedback of reward and safety-risks of actions. In contrast to prior work on aggregated resource constraints, our formulation explicitly demands control on roundwise safety risks. Unlike existing optimistic-pessimistic paradigms for safe bandits, DOSLB exercises supreme optimism, using optimistic estimates of reward and safety scores to select actions. Yet, and surprisingly, we show that DOSLB rarely takes risky actions, and obtains $\tilde{O}(d \sqrt{T})$ regret, where our notion of regret accounts for both inefficiency and lack of safety of actions. Specialising to polytopal domains, we first notably show that the $\sqrt{T}$-regret bound cannot be improved even with large gaps, and then identify a slackened notion of regret for which we show tight instance-dependent $O(\log^2 T)$ bounds. We further argue that in such domains, the number of times an overly risky action is played is also bounded as $O(\log^2T)$.  ( 2 min )

Instance-level Image Retrieval (IIR), or simply Instance Retrieval, deals with the problem of finding all the images within an dataset that contain a query instance (e.g. an object). This paper makes the first attempt that tackles this problem using instance-discrimination based contrastive learning (CL). While CL has shown impressive performance for many computer vision tasks, the similar success has never been found in the field of IIR. In this work, we approach this problem by exploring the capability of deriving discriminative representations from pre-trained and fine-tuned CL models. To begin with, we investigate the efficacy of transfer learning in IIR, by comparing off-the-shelf features learned by a pre-trained deep neural network (DNN) classifier with features learned by a CL model. The findings inspired us to propose a new training strategy that optimizes CL towards learning IIR-oriented features, by using an Average Precision (AP) loss together with a fine-tuning method to learn contrastive feature representations that are tailored to IIR. Our empirical evaluation demonstrates significant performance enhancement over the off-the-shelf features learned from a pre-trained DNN classifier on the challenging Oxford and Paris datasets.  ( 2 min )

Machine learning systems typically apply the same model to both easy and tough cases. This is in stark contrast with humans, who tend to evoke either fast (instinctive) or slow (analytical) thinking depending on the problem difficulty, a property called the dual-process theory of mind. We present FLOWGEN, a graph-generation model inspired by the dual-process theory of mind that generates large graphs incrementally. Depending on the difficulty of completing the graph at the current step, graph generation is routed to either a fast (weaker) or a slow (stronger) model. The fast and slow models have identical architectures, but vary in the number of parameters and consequently the strength. Experiments on real-world graphs show that ours can successfully generate graphs similar to those generated by a single large model in a fraction of time.  ( 2 min )

Collision avoidance in the presence of dynamic obstacles in unknown environments is one of the most critical challenges for unmanned systems. In this paper, we present a method that identifies obstacles in terms of ellipsoids to estimate linear and angular obstacle velocities. Our proposed method is based on the idea of any object can be approximately expressed by ellipsoids. To achieve this, we propose a method based on variational Bayesian estimation of Gaussian mixture model, the Kyachiyan algorithm, and a refinement algorithm. Our proposed method does not require knowledge of the number of clusters and can operate in real-time, unlike existing optimization-based methods. In addition, we define an ellipsoid-based feature vector to match obstacles given two timely close point frames. Our method can be applied to any environment with static and dynamic obstacles, including the ones with rotating obstacles. We compare our algorithm with other clustering methods and show that when coupled with a trajectory planner, the overall system can efficiently traverse unknown environments in the presence of dynamic obstacles.  ( 2 min )

Anomaly-based Intrusion Detection System (IDS) has been a hot research topic because of its ability to detect new threats rather than only memorized signatures threats of signature-based IDS. Especially after the availability of advanced technologies that increase the number of hacking tools and increase the risk impact of an attack. The problem of any anomaly-based model is its high false-positive rate. The high false-positive rate is the reason why anomaly IDS is not commonly applied in practice. Because anomaly-based models classify an unseen pattern as a threat where it may be normal but not included in the training dataset. This type of problem is called overfitting where the model is not able to generalize. Optimizing Anomaly-based models by having a big training dataset that includes all possible normal cases may be an optimal solution but could not be applied in practice. Although we can increase the number of training samples to include much more normal cases, still we need a model that has more ability to generalize. In this research paper, we propose applying deep model instead of traditional models because it has more ability to generalize. Thus, we will obtain less false-positive by using big data and deep model. We made a comparison between machine learning and deep learning algorithms in the optimization of anomaly-based IDS by decreasing the false-positive rate. We did an experiment on the NSL-KDD benchmark and compared our results with one of the best used classifiers in traditional learning in IDS optimization. The experiment shows 10% lower false-positive by using deep learning instead of traditional learning.  ( 3 min )

Score-based generative modelling (SGM) has proven to be a very effective method for modelling densities on finite-dimensional spaces. In this work we propose to extend this methodology to learn generative models over functional spaces. To do so, we represent functional data in spectral space to dissociate the stochastic part of the processes from their space-time part. Using dimensionality reduction techniques we then sample from their stochastic component using finite dimensional SGM. We demonstrate our method's effectiveness for modelling various multimodal datasets.  ( 2 min )

Recent models can generate fluent and grammatical synthetic reviews while accurately predicting user ratings. The generated reviews, expressing users' estimated opinions towards related products, are often viewed as natural language 'rationales' for the jointly predicted rating. However, previous studies found that existing models often generate repetitive, universally applicable, and generic explanations, resulting in uninformative rationales. Further, our analysis shows that previous models' generated content often contain factual hallucinations. These issues call for novel solutions that could generate both informative and factually grounded explanations. Inspired by recent success in using retrieved content in addition to parametric knowledge for generation, we propose to augment the generator with a personalized retriever, where the retriever's output serves as external knowledge for enhancing the generator. Experiments on Yelp, TripAdvisor, and Amazon Movie Reviews dataset show our model could generate explanations that more reliably entail existing reviews, are more diverse, and are rated more informative by human evaluators.  ( 2 min )

Vision Transformers are increasingly embedded in industrial systems due to their superior performance, but their memory and power requirements make deploying them to edge devices a challenging task. Hence, model compression techniques are now widely used to deploy models on edge devices as they decrease the resource requirements and make model inference very fast and efficient. But their reliability and robustness from a security perspective is another major issue in safety-critical applications. Adversarial attacks are like optical illusions for ML algorithms and they can severely impact the accuracy and reliability of models. In this work we investigate the transferability of adversarial samples across the SOTA Vision Transformer models across 3 SOTA compressed versions and infer the effects different compression techniques have on adversarial attacks.  ( 2 min )

This work proposes a novel reconfigurable architecture for low latency Graph Neural Network (GNN) design specifically for particle detectors. Accelerating GNNs for particle detectors is challenging since it requires sub-microsecond latency to deploy the networks for online event selection in the Level-1 triggers at the CERN Large Hadron Collider experiments. This paper proposes a custom code transformation with strength reduction for the matrix multiplication operations in the interaction-network based GNNs with fully connected graphs, which avoids the costly multiplication. It exploits sparsity patterns as well as binary adjacency matrices, and avoids irregular memory access, leading to a reduction in latency and improvement in hardware efficiency. In addition, we introduce an outer-product based matrix multiplication approach which is enhanced by the strength reduction for low latency design. Also, a fusion step is introduced to further reduce the design latency. Furthermore, an GNN-specific algorithm-hardware co-design approach is presented which not only finds a design with a much better latency but also finds a high accuracy design under a given latency constraint. Finally, a customizable template for this low latency GNN hardware architecture has been designed and open-sourced, which enables the generation of low-latency FPGA designs with efficient resource utilization using a high-level synthesis tool. Evaluation results show that our FPGA implementation is up to 24 times faster and consumes up to 45 times less power than a GPU implementation. Compared to our previous FPGA implementations, this work achieves 6.51 to 16.7 times lower latency. Moreover, the latency of our FPGA design is sufficiently low to enable deployment of GNNs in a sub-microsecond, real-time collider trigger system, enabling it to benefit from improved accuracy.  ( 3 min )

Multilingual search can be achieved with subword tokenization. The accuracy of traditional TF-IDF approaches depend on manually curated tokenization, stop words and stemming rules, whereas subword TF-IDF (STF-IDF) can offer higher accuracy without such heuristics. Moreover, multilingual support can be incorporated inherently as part of the subword tokenization model training. XQuAD evaluation demonstrates the advantages of STF-IDF: superior information retrieval accuracy of 85.4% for English and over 80% for 10 other languages without any heuristics-based preprocessing. The software to reproduce these results are open-sourced as a part of Text2Text: https://github.com/artitw/text2text  ( 2 min )

Quantum kernel methods are considered a promising avenue for applying quantum computers to machine learning problems. Identifying hyperparameters controlling the inductive bias of quantum machine learning models is expected to be crucial given the central role hyperparameters play in determining the performance of classical machine learning methods. In this work we introduce the hyperparameter controlling the bandwidth of a quantum kernel and show that it controls the expressivity of the resulting model. We use extensive numerical experiments with multiple quantum kernels and classical datasets to show consistent change in the model behavior from underfitting (bandwidth too large) to overfitting (bandwidth too small), with optimal generalization in between. We draw a connection between the bandwidth of classical and quantum kernels and show analogous behavior in both cases. Furthermore, we show that optimizing the bandwidth can help mitigate the exponential decay of kernel values with qubit count, which is the cause behind recent observations that the performance of quantum kernel methods decreases with qubit count. We reproduce these negative results and show that if the kernel bandwidth is optimized, the performance instead improves with growing qubit count and becomes competitive with the best classical methods.  ( 3 min )

We analyze deep ReLU neural networks trained with mini-batch Stochastic Gradient Descent (SGD) and weight decay. We show, both theoretically and empirically, that when training a neural network using SGD with weight decay and small batch size, the resulting weight matrices tend to be of small rank. Our analysis relies on a minimal set of assumptions; the neural networks may be arbitrarily wide or deep and may include residual connections, as well as convolutional layers. The same analysis implies the inherent presence of SGD "noise", defined as the inability of SGD to converge to a stationary point. In particular, we prove that SGD noise must always be present, even asymptotically, as long as we incorporate weight decay and the batch size is smaller than the total number of training samples.  ( 2 min )

The lottery ticket hypothesis (LTH) has attracted attention because it can explain why over-parameterized models often show high generalization ability. It is known that when we use iterative magnitude pruning (IMP), which is an algorithm to find sparse networks with high generalization ability that can be trained from the initial weights independently, called winning tickets, the initial large learning rate does not work well in deep neural networks such as ResNet. However, since the initial large learning rate generally helps the optimizer to converge to flatter minima, we hypothesize that the winning tickets have relatively sharp minima, which is considered a disadvantage in terms of generalization ability. In this paper, we confirm this hypothesis and show that the PAC-Bayesian theory can provide an explicit understanding of the relationship between LTH and generalization behavior. On the basis of our experimental findings that flatness is useful for improving accuracy and robustness to label noise and that the distance from the initial weights is deeply involved in winning tickets, we offer the PAC-Bayes bound using a spike-and-slab distribution to analyze winning tickets. Finally, we revisit existing algorithms for finding winning tickets from a PAC-Bayesian perspective and provide new insights into these methods.  ( 3 min )

We present CausalSim, a causal inference framework for unbiased trace-driven simulation. Current trace-driven simulators assume that the interventions being simulated (e.g., a new algorithm) would not affect the validity of the traces. However, real-world traces are often biased by the choices of algorithms made during trace collection, and hence replaying traces under an intervention may lead to incorrect results. CausalSim addresses this challenge by learning a causal model of the system dynamics and latent factors capturing the underlying system conditions during trace collection. It learns these models using an initial randomized control trial (RCT) under a fixed set of algorithms, and then applies them to remove biases from trace data when simulating new algorithms. Key to CausalSim is mapping unbiased trace-driven simulation to a tensor completion problem with extremely sparse observations. By exploiting a basic distributional invariance property present in RCT data, CausalSim enables a novel tensor completion method despite the sparsity of observations. Our extensive evaluation of CausalSim on both real and synthetic datasets, including more than ten months of real data from the Puffer video streaming system show it improves simulation accuracy, reducing errors by 53% and 61% on average compared to expert-designed and supervised learning baselines. Moreover, CausalSim provides markedly different insights about ABR algorithms compared to the biased baseline simulator, which we validate with a real deployment.  ( 3 min )

Graphical structures estimated by causal learning algorithms from time series data can provide highly misleading causal information if the causal timescale of the generating process fails to match the measurement timescale of the data. Although this problem has been recently recognized, practitioners have limited resources to respond to it, and so must continue using models that they know are likely misleading. Existing methods either (a) require that the difference between causal and measurement timescales is known; or (b) can handle only very small number of random variables when the timescale difference is unknown; or (c) apply to only pairs of variables, though with fewer assumptions about prior knowledge; or (d) return impractically too many solutions. This paper addresses all four challenges. We combine constraint programming with both theoretical insights into the problem structure and prior information about admissible causal interactions. The resulting system provides a practical approach that scales to significantly larger sets (>100) of random variables, does not require precise knowledge of the timescale difference, supports edge misidentification and parametric connection strengths, and can provide the optimum choice among many possible solutions. The cumulative impact of these improvements is gain of multiple orders of magnitude in speed and informativeness.  ( 3 min )

K-FAC is a successful tractable implementation of Natural Gradient for Deep Learning, which nevertheless suffers from the requirement to compute the inverse of the Kronecker factors (through an eigen-decomposition). This can be very time-consuming (or even prohibitive) when these factors are large. In this paper, we theoretically show that, owing to the exponential-average construction paradigm of the Kronecker factors that is typically used, their eigen-spectrum must decay. We show numerically that in practice this decay is very rapid, leading to the idea that we could save substantial computation by only focusing on the first few eigen-modes when inverting the Kronecker-factors. Randomized Numerical Linear Algebra provides us with the necessary tools to do so. Numerical results show we obtain $\approx2.5\times$ reduction in per-epoch time and $\approx3.3\times$ reduction in time to target accuracy. We compare our proposed K-FAC sped-up versions with a more computationally efficient NG implementation, SENG, and observe we perform on par with it.  ( 2 min )

Estimating information-theoretic quantities such as entropy and mutual information is central to many problems in statistics and machine learning, but challenging in high dimensions. This paper presents estimators of entropy via inference (EEVI), which deliver upper and lower bounds on many information quantities for arbitrary variables in a probabilistic generative model. These estimators use importance sampling with proposal distribution families that include amortized variational inference and sequential Monte Carlo, which can be tailored to the target model and used to squeeze true information values with high accuracy. We present several theoretical properties of EEVI and demonstrate scalability and efficacy on two problems from the medical domain: (i) in an expert system for diagnosing liver disorders, we rank medical tests according to how informative they are about latent diseases, given a pattern of observed symptoms and patient attributes; and (ii) in a differential equation model of carbohydrate metabolism, we find optimal times to take blood glucose measurements that maximize information about a diabetic patient's insulin sensitivity, given their meal and medication schedule.  ( 3 min )

Linear time-invariant systems are very popular models in system theory and applications. A fundamental problem in system identification that remains rather unaddressed in extant literature is to leverage commonalities amongst related linear systems to estimate their transition matrices more accurately. To address this problem, the current paper investigates methods for jointly estimating the transition matrices of multiple systems. It is assumed that the transition matrices are unknown linear functions of some unknown shared basis matrices. We establish finite-time estimation error rates that fully reflect the roles of trajectory lengths, dimension, and number of systems under consideration. The presented results are fairly general and show the significant gains that can be achieved by pooling data across systems in comparison to learning each system individually. Further, they are shown to be robust against model misspecifications. To obtain the results, we develop novel techniques that are of interest for addressing similar joint-learning problems. They include tightly bounding estimation errors in terms of the eigen-structures of transition matrices, establishing sharp high probability bounds for singular values of dependent random matrices, and capturing effects of misspecified transition matrices as the systems evolve over time.  ( 3 min )

We study the transfer learning process between two linear regression problems. An important and timely special case is when the regressors are overparameterized and perfectly interpolate their training data. We examine a parameter transfer mechanism whereby a subset of the parameters of the target task solution are constrained to the values learned for a related source task. We analytically characterize the generalization error of the target task in terms of the salient factors in the transfer learning architecture, i.e., the number of examples available, the number of (free) parameters in each of the tasks, the number of parameters transferred from the source to target task, and the relation between the two tasks. Our non-asymptotic analysis shows that the generalization error of the target task follows a two-dimensional double descent trend (with respect to the number of free parameters in each of the tasks) that is controlled by the transfer learning factors. Our analysis points to specific cases where the transfer of parameters is beneficial as a substitute for extra overparameterization (i.e., additional free parameters in the target task). Specifically, we show that the usefulness of a transfer learning setting is fragile and depends on a delicate interplay among the set of transferred parameters, the relation between the tasks, and the true solution. We also demonstrate that overparameterized transfer learning is not necessarily more beneficial when the source task is closer or identical to the target task.  ( 3 min )

Solar flares, especially the M- and X-class flares, are often associated with coronal mass ejections (CMEs). They are the most important sources of space weather effects, that can severely impact the near-Earth environment. Thus it is essential to forecast flares (especially the M-and X-class ones) to mitigate their destructive and hazardous consequences. Here, we introduce several statistical and Machine Learning approaches to the prediction of the AR's Flare Index (FI) that quantifies the flare productivity of an AR by taking into account the numbers of different class flares within a certain time interval. Specifically, our sample includes 563 ARs appeared on solar disk from May 2010 to Dec 2017. The 25 magnetic parameters, provided by the Space-weather HMI Active Region Patches (SHARP) from Helioseismic and Magnetic Imager (HMI) on board the Solar Dynamics Observatory (SDO), characterize coronal magnetic energy stored in ARs by proxy and are used as the predictors. We investigate the relationship between these SHARP parameters and the FI of ARs with a machine-learning algorithm (spline regression) and the resampling method (Synthetic Minority Over-Sampling Technique for Regression with Gaussian Noise, short by SMOGN). Based on the established relationship, we are able to predict the value of FIs for a given AR within the next 1-day period. Compared with other 4 popular machine learning algorithms, our methods improve the accuracy of FI prediction, especially for large FI. In addition, we sort the importance of SHARP parameters by Borda Count method calculated from the ranks that are rendered by 9 different machine learning methods.  ( 3 min )

Normalizing flows model complex probability distributions using maps obtained by composing invertible layers. Special linear layers such as masked and 1x1 convolutions play a key role in existing architectures because they increase expressive power while having tractable Jacobians and inverses. We propose a new family of invertible linear layers based on butterfly layers, which are known to theoretically capture complex linear structures including permutations and periodicity, yet can be inverted efficiently. This representational power is a key advantage of our approach, as such structures are common in many real-world datasets. Based on our invertible butterfly layers, we construct a new class of normalizing flow models called ButterflyFlow. Empirically, we demonstrate that ButterflyFlows not only achieve strong density estimation results on natural images such as MNIST, CIFAR-10, and ImageNet 32x32, but also obtain significantly better log-likelihoods on structured datasets such as galaxy images and MIMIC-III patient cohorts -- all while being more efficient in terms of memory and computation than relevant baselines.  ( 2 min )

Importance sampling (IS) is a powerful Monte Carlo (MC) methodology for approximating integrals, for instance in the context of Bayesian inference. In IS, the samples are simulated from the so-called proposal distribution, and the choice of this proposal is key for achieving a high performance. In adaptive IS (AIS) methods, a set of proposals is iteratively improved. AIS is a relevant and timely methodology although many limitations remain yet to be overcome, e.g., the curse of dimensionality in high-dimensional and multi-modal problems. Moreover, the Hamiltonian Monte Carlo (HMC) algorithm has become increasingly popular in machine learning and statistics. HMC has several appealing features such as its exploratory behavior, especially in high-dimensional targets, when other methods suffer. In this paper, we introduce the novel Hamiltonian adaptive importance sampling (HAIS) method. HAIS implements a two-step adaptive process with parallel HMC chains that cooperate at each iteration. The proposed HAIS efficiently adapts a population of proposals, extracting the advantages of HMC. HAIS can be understood as a particular instance of the generic layered AIS family with an additional resampling step. HAIS achieves a significant performance improvement in high-dimensional problems w.r.t. state-of-the-art algorithms. We discuss the statistical properties of HAIS and show its high performance in two challenging examples.  ( 3 min )

In many longitudinal settings, time-varying covariates may not be measured at the same time as responses and are often prone to measurement error. Naive last-observation-carried-forward methods incur estimation biases, and existing kernel-based methods suffer from slow convergence rates and large variations. To address these challenges, we propose a new functional calibration approach to efficiently learn longitudinal covariate processes based on sparse functional data with measurement error. Our approach, stemming from functional principal component analysis, calibrates the unobserved synchronized covariate values from the observed asynchronous and error-prone covariate values, and is broadly applicable to asynchronous longitudinal regression with time-invariant or time-varying coefficients. For regression with time-invariant coefficients, our estimator is asymptotically unbiased, root-n consistent, and asymptotically normal; for time-varying coefficient models, our estimator has the optimal varying coefficient model convergence rate with inflated asymptotic variance from the calibration. In both cases, our estimators present asymptotic properties superior to the existing methods. The feasibility and usability of the proposed methods are verified by simulations and an application to the Study of Women's Health Across the Nation, a large-scale multi-site longitudinal study on women's health during mid-life.  ( 2 min )

We study the robustness of conformal prediction, a powerful tool for uncertainty quantification, to label noise. Our analysis tackles both regression and classification problems, characterizing when and how it is possible to construct uncertainty sets that correctly cover the unobserved noiseless ground truth labels. Through stylized theoretical examples and practical experiments, we argue that naive conformal prediction covers the noiseless ground truth label unless the noise distribution is adversarially designed. This leads us to believe that correcting for label noise is unnecessary except for pathological data distributions or noise sources. In such cases, we can also correct for noise of bounded size in the conformal prediction algorithm in order to ensure correct coverage of the ground truth labels without score or data regularity.  ( 2 min )

Score-based generative modelling (SGM) has proven to be a very effective method for modelling densities on finite-dimensional spaces. In this work we propose to extend this methodology to learn generative models over functional spaces. To do so, we represent functional data in spectral space to dissociate the stochastic part of the processes from their space-time part. Using dimensionality reduction techniques we then sample from their stochastic component using finite dimensional SGM. We demonstrate our method's effectiveness for modelling various multimodal datasets.  ( 2 min )

We propose a \underline{d}oubly \underline{o}ptimistic strategy for the \underline{s}afe-\underline{l}inear-\underline{b}andit problem, DOSLB. The safe linear bandit problem is to optimise an unknown linear reward whilst satisfying unknown round-wise safety constraints on actions, using stochastic bandit feedback of reward and safety-risks of actions. In contrast to prior work on aggregated resource constraints, our formulation explicitly demands control on roundwise safety risks. Unlike existing optimistic-pessimistic paradigms for safe bandits, DOSLB exercises supreme optimism, using optimistic estimates of reward and safety scores to select actions. Yet, and surprisingly, we show that DOSLB rarely takes risky actions, and obtains $\tilde{O}(d \sqrt{T})$ regret, where our notion of regret accounts for both inefficiency and lack of safety of actions. Specialising to polytopal domains, we first notably show that the $\sqrt{T}$-regret bound cannot be improved even with large gaps, and then identify a slackened notion of regret for which we show tight instance-dependent $O(\log^2 T)$ bounds. We further argue that in such domains, the number of times an overly risky action is played is also bounded as $O(\log^2T)$.  ( 2 min )

In this paper we address the problem of testing whether two observed trees $(t,t')$ are sampled either independently or from a joint distribution under which they are correlated. This problem, which we refer to as correlation detection in trees, plays a key role in the study of graph alignment for two correlated random graphs. Motivated by graph alignment, we investigate the conditions of existence of one-sided tests, i.e. tests which have vanishing type I error and non-vanishing power in the limit of large tree depth. For the correlated Galton-Watson model with Poisson offspring of mean $\lambda>0$ and correlation parameter $s \in (0,1)$, we identify a phase transition in the limit of large degrees at $s = \sqrt{\alpha}$, where $\alpha \sim 0.3383$ is Otter's constant. Namely, we prove that no such test exists for $s \leq \sqrt{\alpha}$, and that such a test exists whenever $s > \sqrt{\alpha}$, for $\lambda$ large enough. This result sheds new light on the graph alignment problem in the sparse regime (with $O(1)$ average node degrees) and on the performance of the MPAlign method studied in Ganassali et al. (2021), Piccioli et al. (2021), proving in particular the conjecture of Piccioli et al. (2021) that MPAlign succeeds in the partial recovery task for correlation parameter $s>\sqrt{\alpha}$ provided the average node degree $\lambda$ is large enough.  ( 3 min )

Neural Posterior Estimation methods for simulation-based inference can be ill-suited for dealing with posterior distributions obtained by conditioning on multiple observations, as they may require a large number of simulator calls to yield accurate approximations. Neural Likelihood Estimation methods can naturally handle multiple observations, but require a separate inference step, which may affect their efficiency and performance. We introduce a new method for simulation-based inference that enjoys the benefits of both approaches. We propose to model the scores for the posterior distributions induced by individual observations, and introduce a sampling algorithm that combines the learned scores to approximately sample from the target efficiently.  ( 2 min )

We propose a deep learning strategy to estimate the mean curvature of two-dimensional implicit interfaces in the level-set method. Our approach is based on fitting feed-forward neural networks to synthetic data sets constructed from circular interfaces immersed in uniform grids of various resolutions. These multilayer perceptrons process the level-set values from mesh points next to the free boundary and output the dimensionless curvature at their closest locations on the interface. Accuracy analyses involving irregular interfaces, in both uniform and adaptive grids, show that our models are competitive with traditional numerical schemes in the $L^1$ and $L^2$ norms. In particular, our neural networks approximate curvature with comparable precision in coarse resolutions, when the interface features steep curvature regions, and when the number of iterations to reinitialize the level-set function is small. Although the conventional numerical approach is more robust than our framework, our results have unveiled the potential of machine learning for dealing with computational tasks where the level-set method is known to experience difficulties. We also establish that an application-dependent map of local resolutions to neural models can be devised to estimate mean curvature more effectively than a universal neural network.  ( 3 min )

We study the estimation of causal parameters when not all confounders are observed and instead negative controls are available. Recent work has shown how these can enable identification and efficient estimation via two so-called bridge functions. In this paper, we tackle the primary challenge to causal inference using negative controls: the identification and estimation of these bridge functions. Previous work has relied on completeness conditions on these functions to identify the causal parameters and required uniqueness assumptions in estimation, and they also focused on parametric estimation of bridge functions. Instead, we provide a new identification strategy that avoids the completeness condition. And, we provide new estimators for these functions based on minimax learning formulations. These estimators accommodate general function classes such as Reproducing Kernel Hilbert Spaces and neural networks. We study finite-sample convergence results both for estimating bridge functions themselves and for the final estimation of the causal parameter under a variety of combinations of assumptions. We avoid uniqueness conditions on the bridge functions as much as possible.  ( 2 min )

Network analysis has been a powerful tool to unveil relationships and interactions among a large number of objects. Yet its effectiveness in accurately identifying important node-node interactions is challenged by the rapidly growing network size, with data being collected at an unprecedented granularity and scale. Common wisdom to overcome such high dimensionality is collapsing nodes into smaller groups and conducting connectivity analysis on the group level. Dividing efforts into two phases inevitably opens a gap in consistency and drives down efficiency. Consensus learning emerges as a new normal for common knowledge discovery with multiple data sources available. To this end, this paper features developing a unified framework of simultaneous grouping and connectivity analysis by combining multiple data sources. The algorithm also guarantees a statistically optimal estimator.  ( 2 min )

Reinforcement learning (RL) has exceeded human performance in many synthetic settings such as video games and Go. However, real-world deployment of end-to-end RL models is less common, as RL models can be very sensitive to slight perturbation of the environment. The robust Markov decision process (MDP) framework -- in which the transition probabilities belong to an uncertainty set around a nominal model -- provides one way to develop robust models. While previous analysis shows RL algorithms are effective assuming access to a generative model, it remains unclear whether RL can be efficient under a more realistic online setting, which requires a careful balance between exploration and exploitation. In this work, we consider online robust MDP by interacting with an unknown nominal system. We propose a robust optimistic policy optimization algorithm that is provably efficient. To address the additional uncertainty caused by an adversarial environment, our model features a new optimistic update rule derived via Fenchel conjugates. Our analysis establishes the first regret bound for online robust MDPs.  ( 2 min )

Learning to rank -- producing a ranked list of items specific to a query and with respect to a set of supervisory items -- is a problem of general interest. The setting we consider is one in which no analytic description of what constitutes a good ranking is available. Instead, we have a collection of representations and supervisory information consisting of a (target item, interesting items set) pair. We demonstrate analytically, in simulation, and in real data examples that learning to rank via combining representations using an integer linear program is effective when the supervision is as light as "these few items are similar to your item of interest." While this nomination task is quite general, for specificity we present our methodology from the perspective of vertex nomination in graphs. The methodology described herein is model agnostic.  ( 2 min )

I was training a 1D CNN to to classify a time series. I tried using 2 different filters because I’m classifying time series into 2 classes. But I noticed that the 2 filters ended up being very similar. I’ve seen visualizations of feature maps/filters in 2d CNNs and they always look pretty distinct. I was wondering if anyone has ever tried adding the absolute value of the dot product of each filter with every other filter to the loss function to penalize similarity and hopefully produce orthogonal feature maps/filters? I guess this wouldn’t work for networks with a lot of filters. Are there any techniques for ensuring filters are distinct? Or is it even important that filters are distinct? submitted by /u/LiquidDinosaurs69 [link] [comments]  ( 89 min )

I'm a data scientist with a regression problem that we're solving via k-nearest neighbors. We're concerned with the accuracy of ~100 estimates added together rather than the accuracy of any single estimate. Thus, bias was important to us. As long as we didn't systemically over or under predict, we would have a very good estimate in the end overall. I discovered recently that 1nn had worse precision than knn but the bias was significantly better. So I then thought to incorporate subsampling to see if that could improve the precision without hurting the bias much. I figured bootstrapping didn't make sense since a repeated item doesn't make much sense in the context of 1nn! So I went with subsampling without replacement, but with the bootstrap selection rate of 1-1/e ~ .632 Subsampling is…  ( 90 min )

I know the big boys like GPT have billions and millions of parameters so they must be huge But how coherent of a language model could you make and fit in a client application to process and return output on user input? Keeping it to a reasonable size on disk feasible or no? submitted by /u/SnakeBladeStyle [link] [comments]  ( 89 min )

Here's a guide Justin Pinkney ( u/Buntworthy ) put together on how he trained the text-to-pokemon model that you've been seeing all over twitter. the start sample looks like normal image, then start to get a Pokemon style, and eventually diverge from the original prompts as training continues. The post: https://lambdalabs.com/blog/how-to-fine-tune-stable-diffusion-how-we-made-the-text-to-pokemon-model-at-lambda/ The model, code, and dataset are all available here: Lambda Diffusers Captioned Pokémon dataset Model weights in Diffusers format Hosted demo: https://replicate.com/lambdal/text-to-pokemon Original model weights Training code You can start with the github which contains the code: https://github.com/justinpinkney/stable-diffusion And then follow this post on how to run it: https://lambdalabs.com/blog/how-to-fine-tune-stable-diffusion-how-we-made-the-text-to-pokemon-model-at-lambda/ submitted by /u/sabalaba [link] [comments]  ( 89 min )

I have a paper that has been rejected a few times now. When we wrote it a year ago I believe it was really cutting edge as it showed a solution to a problem that no one managed to get right. In the mean time new papers came out and the results (although still good) are not state of the art any more. We updated the references in a few revisions over the past year so that new work is included. We are looking for a journal in q3 or q4 that would have a short review time so that we don’t have to wait even longer to get published. The paper deals in digital forensics, specifically applying machine learning to file fragment classification. Can anyone recommend a journal? Not looking for top tier submitted by /u/sillyscienceguy [link] [comments]  ( 89 min )

Hi Everyone, Is there any open source project which can allow a user to converse with the bot as with any other human being? submitted by /u/black_loop [link] [comments]  ( 88 min )

For many NLP tasks involved in medical domain, like data collection, training unsupervised models etc, PubMed articles are a great resource. With Pubmedflow, a researcher's effort to do all such tasks, will get simplified into few lines of python. Current tasks supported: Unsupervised Model training Question answering on the downloaded text Summarise each of them Perform entity extraction on each of them Github URL: https://github.com/nfflow/pubmedflow submitted by /u/metalvendetta [link] [comments]  ( 88 min )

Can T4 be faster than P100? On Colab Pro+, I usually get a P100. Today I got T4. To my amazement, it turned out ~25% faster with OpenAI Jukebox. Is that possible, or are some other factors likely at play? submitted by /u/vzakharov [link] [comments]  ( 88 min )

https://openai.com/blog/dall-e-now-available-without-waitlist/ It appears to work as advertised, not any special workflow. (as a bonus, it does work with organizations too, with credits shared) submitted by /u/minimaxir [link] [comments]  ( 93 min )

As the title states, I have a paper that has now been rejected from both Neurips and AAAI and I am uncertain of where to go from here. I have considered submitting to Image and Vision Computing journal due to its fast turnaround time and being a top 20 journals, but maybe there is a conference I am missing. In general reviewers, praised the vast experimentation (used 3 datasets) and the paper is well organized (in the strengths in weakness section). However, in the evaluation criteria section the ranked clarity as Fair for the phase 1 reviews at AAAI (a tad inconsistent I would say). Critiques stem around not being novel enough (but some of the comments seem to miss important distinctions that motivate the reviews to says its a trivial extension. Any advice on where to go from here would be appreciated. submitted by /u/AbjectDrink3276 [link] [comments]  ( 91 min )

I am reading this blog and I am not able to understand the following inequality. ​ https://preview.redd.it/xp8yotyuyjq91.png?width=742&format=png&auto=webp&s=9da6eda1a4903f97a1db0dc48098a5ff6d75e489 Like here first we are making a set of all the hypothesis where we have some true error (> epsilon). Then from that we made a separate set, M which has empirical error 0. Now how come S is a subset of M ? And how we are getting this inequality. submitted by /u/Adventurous-Ad742 [link] [comments]  ( 121 min )

I'm looking to visualize named-entities and relations over a very large set of documents and saving this in some external document (like a PDF or HTML file). Specifically, given that I have the document locations corresponding to the entities and relations, I am looking for something to label every entity with a specific color corresponding to its entity type and colored arrows corresponding to relation type between related entities. Is there any python code available to do this? I tried generating a PDF using PyFPDF but it won't easily let me color individual words. For now, I am giving up on PyFPDF and trying to use python to generate HTML and CSS. UPDATE: Turns out I can use PyFPDF to color individual words (using the write function rather than the cell/multicell functions). However, still trying to figure out how to draw arrows between words. Any suggestions for libraries that can do this easily would be appreciated! submitted by /u/newperson77777777 [link] [comments]  ( 91 min )

Hi everyone, I made a prompt-based virtual fashion try-on app, using an off-the-shelf virtual try-on model. The results are not half bad! Any ideas on how I can improve the generation of the cloth? Any feedback is much appreciated! [Tweet] [GitHub] submitted by /u/o_v_shake [link] [comments]  ( 88 min )

I am reviewing how recommendation systems get built and one approach for collaborative recommendations is to have a N x M (user x movie) matrix, where each element represents if the i_th user liked j_th movie. To reduce the sparsity of this and to identity 'features', it is recommended to perform matrix factorization to get (N x m) and (m x M) matrices, where m are a # of latent features. If a new user is added or a new movie is added that would create a new row and column. My question is, do such a system get used in practice and practically speaking does this matrix refactorization need to happen at a regular cadence (e.g. every week offline) as new data becomes available? Thx. EDIT: Also wanted to pose one of my follow-up questions from below discussion. What's the advantage / disadvantage of using matrix factorization or this "grid" approach, versus feeding the various user features and movie features into a Neural Network, with a [user [dot] movie - label] cost function, so that the "per user" and "per movie" embeddings get trained in the hidden layers? Presumably this approach is more computationally intensive, but does this NN approach have advantages over the straight up matrix factorization approach? submitted by /u/Phoeniyx [link] [comments]  ( 93 min )

I am highly interested in pursuing PhD in ML. Undergraduate in mechanical engineering from an old IIT Bad GPA (7.7/10) Various research internships Research Assistantship at an Ivy league ML Lab 1 NeurIPS paper, 1 good journal paper, 1 paper through MLRC My research interests are deep learning and compute vision. I wanted to know my chances of getting accepted in a PhD program (anywhere in world). Also, suggestions on which universities and Labs I should target. Any help would be appreciated!! submitted by /u/asdas1505 [link] [comments]  ( 88 min )

submitted by /u/ConsiderationFunny [link] [comments]  ( 90 min )

I have tons of use cases for text-to-speech in my hands, like creating audio versions of reports and books in different languages. Is there any groundbreaking text-to-speech model (like GPT-3 is to t2t)? What is the best one in your opinion? submitted by /u/vowtz_ [link] [comments]  ( 87 min )

https://www.youtube.com/watch?v=OkJT9f2IB40 ​ I got OpenAI to write me a gravity and repulsion simulation. I think it's safe to say that AI is good at programming. Here is the code (for a language called processing): Particle[] particles; void setup() { fullScreen(); particles = new Particle[500]; for (int i = 0; i 0) { float strength = (G * mass * p.mass) / (distance * distance); PVector dir = PVector.sub(p.position, position); //dir.normalize(); if (distance width) { position.x = width; velocity.x *= -1; } else if (position.x height) { velocity.y *= -1; position.y = height; } else if (position.y < 0) { velocity.y *= -1; position.y = 0; } } } submitted by /u/fmurph22 [link] [comments]  ( 88 min )

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If AI is essentially artificial perception, then why isn't human perception ultimate? submitted by /u/mavavilj [link] [comments]  ( 87 min )

Data-centric approach of building AI models is about focusing as diligently on the data as AI engineers usually do on the models and algorithms. Read more about it here - https://www.artiba.org/blog/data-centric-ai-vs-model-centric-ai-everything-you-need-know submitted by /u/Emily-joe [link] [comments]  ( 87 min )

​ Help us!! We are a team of academic researchers interested in psychology and natural language use. We are currently interested in gathering some data from people with no psychological disorders. More information: https://erisk.irlab.org/ We would greatly appreciate it if you could fill out the questionnaire attached. It takes 2 minutes :) It is a standard inventory of questions used by psychologists. Note that the questionnaire contains a field in which the respondent has to provide his/her Reddit username. This would help us to link word use (as extracted from your Reddit's public submissions) with your responses to the questionnaire. Of course, we will treat the information you provide with the utmost confidentiality and privacy. All information we will extract from Reddit will be anonymized. Link to the questionnaire: https://forms.gle/PkWyB64aAu6BQTqi6 Best regards David E. Losada, Univ. Santiago de Compostela, Spain ([david.losada@usc.es](mailto:david.losada@usc.es)) Fabio Crestani, Univ. della Svizzera Italiana, Switzerland ([fabio.crestani@usi.ch](mailto:fabio.crestani@usi.ch)) Javier Parapar, Univ. A Coruña, Spain ([javierparapar@udc.es](mailto:javierparapar@udc.es)) Patricia Martin-Rodilla, Univ. A Coruña, Spain ([patricia.martin.rodilla@udc.es](mailto:patricia.martin.rodilla@udc.es) ) submitted by /u/pamroda [link] [comments]  ( 88 min )

Have you ever wondered why it takes writers so long to write a book? Or why it's so hard for them to produce content? Well, the answer is simple: AI writer can help you do your job faster and better than ever before. AI Writers also provide feedback and suggestions based on its analysis of what works best for each individual client's needs so they can improve their writing skills even further without having much effort put into it themselves! submitted by /u/ai-writer1 [link] [comments]  ( 87 min )

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and they actually make sense because it only uses consecutive words within the same sentence. That said, the syllable count is sometimes slightly off and obviously not all of them have some deep or specific meaning. They're haikus after all. Example from today: The Dryes Earn Praise converted pistols and shirt asteroid in first which was generated from the following news headlines (which it also shows each time): WATCH: The Dryes Earn Praise & A Spot On Team Blake Shelton On 'The Voice' With Cover Of Iconic Country Duet - Music Mayhem Magazine (retrieved 2022-09-27 01:15:03) 17 dead, 24 wounded in Russia school shooting by gunman with converted pistols and a shirt with "Nazi symbols" - CBS News (2022-09-27 01:15:05) NASA's DART spacecraft hits target asteroid in first planetary defense test - Reuters (2022-09-27 01:15:03) Obviously this isn't _really_ a use of AI, just a fun little site I made that I thought others might enjoy playing around with. submitted by /u/throwaway17880 [link] [comments]  ( 88 min )

For context, I've only so far used Dalle 2 and RealESRGAN for my basis. Aside from that, Dalle seems to struggle (a bit) with image clarity and straight lines (non-wiggly lines). As I told it to depict a teddy bear in Tokyo, the city seemed unrecognizable upon scrutiny. On the same note, I used RealESRGAN to upscale some images, but again, under the scope of scrutiny, I could see some lines trying to deviate from the original image's path. Why is this? submitted by /u/typcalthowawayacount [link] [comments]  ( 92 min )

I've told it to generate about Patrick from Spongebob SquarePants and Eula from Genshin Impact. All the results are not the respective characters from their franchises. submitted by /u/typcalthowawayacount [link] [comments]  ( 87 min )

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Thank you to everyone who participated!) Some of the added features are: support for dataset poisoning detection for classification models (Spectral Signature Detection) support for several defenses (Gaussian Noise, Gaussian Augmentation, Reverse Sigmoid) support for the Kitti dataset format attacks and visualization for depth perception tasks webhook functionality to enable easy workflow automation performance improvement and more. If you haven't tested it so far, you can make an account and test out the updated version. Your feedback is really appreciated. You can sign up here https://www.navinfo.eu/services/cybersecurity/guardai/ and leave your feedback directly through the platform. Thank you! GuardAI We harness the power of AI and Cybersecurity to develop more secure and robust solutions. submitted by /u/GuardAITeam [link] [comments]  ( 88 min )

I am getting confused many times on this topic. If there is an example solved by both methods then it would help me to understand it very well. submitted by /u/Massive_Cup_4458 [link] [comments]  ( 92 min )

Several machine learning models, as neural networks, are very popular in the data science community, due to its scalability and capacity… Continue reading on Becoming Human: Artificial Intelligence Magazine »  ( 11 min )

The rise of artificial intelligence technologies enables organizations to adopt and improve self-service capabilities in contact center operations to create a more proactive, timely, and effective customer experience. Voice bots, or conversational interactive voice response systems (IVR), use natural language processing (NLP) to understand customers’ questions and provide relevant answers. Businesses can automate responses to […]  ( 8 min )

As businesses and IT leaders look to accelerate the adoption of machine learning (ML), there is a growing need to understand spend and cost allocation for your ML environment to meet enterprise requirements. Without proper cost management and governance, your ML spend may lead to surprises in your monthly AWS bill. Amazon SageMaker is a […]  ( 10 min )

New users can start creating straight away. Lessons learned from deployment and improvements to our safety systems make wider availability possible. Sign up Starting today, we are removing the waitlist for the DALL·E beta so users can sign up and start using it immediately. More than 1.5M  ( 3 min )

A few days ago I wrote about Room squares, squares named after Thomas Room. This post will be about Room’s original square. You could think of a Room square as a tournament design in which the rows represent locations and the columns represent rounds (or vice versa). Every team plays every other team exactly once, […] The original Room square first appeared on John D. Cook.  ( 5 min )

NVIDIA artist Sabour Amirazodi demonstrates his video editing workflows featuring AI this week in a special edition of In the NVIDIA Studio. The post Video Virtuoso Sabour Amirazodi Shares AI-Powered Editing Tips This Week ‘In the NVIDIA Studio’ appeared first on NVIDIA Blog.  ( 7 min )

Source: Unsplash If you’re a coworking space owner and using CRM system, you know that keeping track of your members can be daunting. From juggling monthly membership payments to track who’s been using the printers lately, it’s easy for things to slip through the cracks. That’s where a CRM system comes in handy! Here are… Read More »7 convincing reasons why your coworking needs a CRM system The post 7 convincing reasons why your coworking needs a CRM system appeared first on Data Science Central.  ( 20 min )

Today, data has evolved into one of the most crucial resources in the world. Unlike tangible resources like wood and fuel, the same data set can be used repeatedly and for different applications. Tons of user information gets observed or generated by tech and algorithms to facilitate the personalization we see today. The post Data Erasure: How to Remove your Information from the Internet? appeared first on Data Science Central.  ( 22 min )

Typically, fair machine learning research focuses on a single decisionmaker and assumes that the underlying population is stationary. However, many of the critical domains motivating this work are characterized by competitive marketplaces with many decisionmakers. Realistically, we might expect only a subset of them to adopt any non-compulsory fairness-conscious policy, a situation that political philosophers call partial compliance. This possibility raises important questions: how does the strategic behavior of decision subjects in partial compliance settings affect the allocation outcomes? If k% of employers were to voluntarily adopt a fairness-promoting intervention, should we expect k% progress (in aggregate) towards the benefits of universal adoption, or will the dynamics of partial compliance wash out the hoped-for benefits? How might adopting a global (versus local) perspective impact the conclusions of an auditor? In this paper, we propose a simple model of an employment market, leveraging simulation as a tool to explore the impact of both interaction effects and incentive effects on outcomes and auditing metrics. Our key findings are that at equilibrium: (1) partial compliance (k% of employers) can result in far less than proportional (k%) progress towards the full compliance outcomes; (2) the gap is more severe when fair employers match global (vs local) statistics; (3) choices of local vs global statistics can paint dramatically different pictures of the performance vis-a-vis fairness desiderata of compliant versus non-compliant employers; and (4) partial compliance to local parity measures can induce extreme segregation.  ( 3 min )

In this discussion paper, we survey recent research surrounding robustness of machine learning models. As learning algorithms become increasingly more popular in data-driven control systems, their robustness to data uncertainty must be ensured in order to maintain reliable safety-critical operations. We begin by reviewing common formalisms for such robustness, and then move on to discuss popular and state-of-the-art techniques for training robust machine learning models as well as methods for provably certifying such robustness. From this unification of robust machine learning, we identify and discuss pressing directions for future research in the area.  ( 2 min )

We propose a new regression algorithm that learns from a set of input-output pairs. Our algorithm is designed for populations where the relation between the input variables and the output variable exhibits a heterogeneous behavior across the predictor space. The algorithm starts with generating subsets that are concentrated around random points in the input space. This is followed by training a local predictor for each subset. Those predictors are then combined in a novel way to yield an overall predictor. We call this algorithm ``LEarning with Subset Stacking'' or LESS, due to its resemblance to the method of stacking regressors. We compare the testing performance of LESS with state-of-the-art methods on several datasets. Our comparison shows that LESS is a competitive supervised learning method. Moreover, we observe that LESS is also efficient in terms of computation time and it allows a straightforward parallel implementation.  ( 2 min )

We provide the first formal definition of reward hacking, a phenomenon where optimizing an imperfect proxy reward function, $\mathcal{\tilde{R}}$, leads to poor performance according to the true reward function, $\mathcal{R}$. We say that a proxy is unhackable if increasing the expected proxy return can never decrease the expected true return. Intuitively, it might be possible to create an unhackable proxy by leaving some terms out of the reward function (making it "narrower") or overlooking fine-grained distinctions between roughly equivalent outcomes, but we show this is usually not the case. A key insight is that the linearity of reward (in state-action visit counts) makes unhackability a very strong condition. In particular, for the set of all stochastic policies, two reward functions can only be unhackable if one of them is constant. We thus turn our attention to deterministic policies and finite sets of stochastic policies, where non-trivial unhackable pairs always exist, and establish necessary and sufficient conditions for the existence of simplifications, an important special case of unhackability. Our results reveal a tension between using reward functions to specify narrow tasks and aligning AI systems with human values.  ( 2 min )

We study active sampling algorithms for linear regression, which aim to query only a few entries of a target vector $b\in\mathbb R^n$ and output a near minimizer to $\min_{x\in\mathbb R^d} \|Ax-b\|$, for a design matrix $A\in\mathbb R^{n \times d}$ and loss $\|\cdot\|$. For $p$ norm regression for any $0<p<\infty$, we give an algorithm based on Lewis weight sampling outputting a $(1+\epsilon)$-approximate solution using just $\tilde O(d/\epsilon^2)$ queries to $b$ for $p\in(0,1)$, $\tilde{O}(d/\epsilon)$ queries for $1<p<2$, and $\tilde{O}(d^{p/2}/\epsilon^p)$ queries for $2<p<\infty$. For $0<p<2$, our bounds are optimal up to log factors, settling the query complexity for this range. For $2<p<\infty$, our dependence on $d$ is optimal, while our dependence on $\epsilon$ is off by at most $\epsilon$, up to log factors. Our result resolves an open question of [CD21], who gave near optimal bounds for the $1$ norm, but required $d^2/\epsilon^2$ samples for $\ell_p$ regression with $1<p<2$, and gave no bounds for $2<p<\infty$ or $0<p<1$. We also give the first total sensitivity bound of $O(d^{\max\{1,p/2\}}\log^2n)$ for loss functions of degree $p$ polynomial growth, improving a result of [TMF20]. By combining this with our techniques for $\ell_p$ regression, we obtain an active regression algorithm making $\tilde O(d^{1+\max\{1,p/2\}}/\mathrm{poly}(\epsilon))$ queries for such loss functions, including the Tukey and Huber losses, answering another question of [CD21]. For the Huber loss, we further improve our bound to $\tilde O(d^{4-2\sqrt2}/\mathrm{poly}(\epsilon))$ samples. Our sensitivity bounds also have many applications, including Orlicz norm subspace embeddings, robust subspace approximation, and dimension reduction for smoothed $p$-norms. Finally, our active sampling results give the first sublinear time algorithms for Kronecker product regression under every $p$ norm.  ( 3 min )

Training deep neural networks in low rank, i.e. with factorised layers, is of particular interest to the community: it offers efficiency over unfactorised training in terms of both memory consumption and training time. Prior work has focused on low rank approximations of pre-trained networks and training in low rank space with additional objectives, offering various ad hoc explanations for chosen practice. We analyse techniques that work well in practice, and through extensive ablations on models such as GPT2 we provide evidence falsifying common beliefs in the field, hinting in the process at exciting research opportunities that still need answering.  ( 2 min )

A wide range of optimization problems arising in machine learning can be solved by gradient descent algorithms, and a central question in this area is how to efficiently compress a large-scale dataset so as to reduce the computational complexity. {\em Coreset} is a popular data compression technique that has been extensively studied before. However, most of existing coreset methods are problem-dependent and cannot be used as a general tool for a broader range of applications. A key obstacle is that they often rely on the pseudo-dimension and total sensitivity bound that can be very high or hard to obtain. In this paper, based on the ''locality'' property of gradient descent algorithms, we propose a new framework, termed ''sequential coreset'', which effectively avoids these obstacles. Moreover, our method is particularly suitable for sparse optimization whence the coreset size can be further reduced to be only poly-logarithmically dependent on the dimension. In practice, the experimental results suggest that our method can save a large amount of running time compared with the baseline algorithms.  ( 2 min )

Given a set of dissimilarity measurements amongst data points, determining what metric representation is most "consistent" with the input measurements or the metric that best captures the relevant geometric features of the data is a key step in many machine learning algorithms. Existing methods are restricted to specific kinds of metrics or small problem sizes because of the large number of metric constraints in such problems. In this paper, we provide an active set algorithm, Project and Forget, that uses Bregman projections, to solve metric constrained problems with many (possibly exponentially) inequality constraints. We provide a theoretical analysis of \textsc{Project and Forget} and prove that our algorithm converges to the global optimal solution and that the $L_2$ distance of the current iterate to the optimal solution decays asymptotically at an exponential rate. We demonstrate that using our method we can solve large problem instances of three types of metric constrained problems: general weight correlation clustering, metric nearness, and metric learning; in each case, out-performing the state of the art methods with respect to CPU times and problem sizes.  ( 2 min )

The mean exit time escaping basin of attraction in the presence of white noise is of practical importance in various scientific fields. In this work, we propose a strategy to control mean exit time of general stochastic dynamical systems to achieve a desired value based on the quasipotential concept and machine learning. Specifically, we develop a neural network architecture to compute the global quasipotential function. Then we design a systematic iterated numerical algorithm to calculate the controller for a given mean exit time. Moreover, we identify the most probable path between metastable attractors with help of the effective Hamilton-Jacobi scheme and the trained neural network. Numerical experiments demonstrate that our control strategy is effective and sufficiently accurate.

In the context of supervised learning of a function by a neural network, we claim and empirically verify that the neural network yields better results when the distribution of the data set focuses on regions where the function to learn is steep. We first traduce this assumption in a mathematically workable way using Taylor expansion and emphasize a new training distribution based on the derivatives of the function to learn. Then, theoretical derivations allow constructing a methodology that we call Variance Based Samples Weighting (VBSW). VBSW uses labels local variance to weight the training points. This methodology is general, scalable, cost-effective, and significantly increases the performances of a large class of neural networks for various classification and regression tasks on image, text, and multivariate data. We highlight its benefits with experiments involving neural networks from linear models to ResNet and Bert.  ( 2 min )

Deep neural networks trained end-to-end to map a measurement of a (noisy) image to a clean image perform excellent for a variety of linear inverse problems. Current methods are only trained on a few hundreds or thousands of images as opposed to the millions of examples deep networks are trained on in other domains. In this work, we study whether major performance gains are expected from scaling up the training set size. We consider image denoising, accelerated magnetic resonance imaging, and super-resolution and empirically determine the reconstruction quality as a function of training set size, while optimally scaling the network size. For all three tasks we find that an initially steep power-law scaling slows significantly already at moderate training set sizes. Interpolating those scaling laws suggests that even training on millions of images would not significantly improve performance. To understand the expected behavior, we analytically characterize the performance of a linear estimator learned with early stopped gradient descent. The result formalizes the intuition that once the error induced by learning the signal model is small relative to the error floor, more training examples do not improve performance.  ( 2 min )

Annealed Importance Sampling (AIS) is a popular algorithm used to estimates the intractable marginal likelihood of deep generative models. Although AIS is guaranteed to provide unbiased estimate for any set of hyperparameters, the common implementations rely on simple heuristics such as the geometric average bridging distributions between initial and the target distribution which affect the estimation performance when the computation budget is limited. Optimization of fully parametric AIS remains challenging due to the use of Metropolis-Hasting (MH) correction steps in Markov transitions. We present a parameteric AIS process with flexible intermediary distributions and optimize the bridging distributions to use fewer number of steps for sampling. A reparameterization method that allows us to optimize the distribution sequence and the parameters of Markov transitions is used which is applicable to a large class of Markov Kernels with MH correction. We assess the performance of our optimized AIS for marginal likelihood estimation of deep generative models and compare it to other estimators.  ( 2 min )

Surrogate models are used to alleviate the computational burden in engineering tasks, which require the repeated evaluation of computationally demanding models of physical systems, such as the efficient propagation of uncertainties. For models that show a strongly non-linear dependence on their input parameters, standard surrogate techniques, such as polynomial chaos expansion, are not sufficient to obtain an accurate representation of the original model response. Through applying a rational approximation instead, the approximation error can be efficiently reduced for models whose non-linearity is accurately described through a rational function. Specifically, our aim is to approximate complex-valued models. A common approach to obtain the coefficients in the surrogate is to minimize the sample-based error between model and surrogate in the least-square sense. In order to obtain an accurate representation of the original model and to avoid overfitting, the sample set has be two to three times the number of polynomial terms in the expansion. For models that require a high polynomial degree or are high-dimensional in terms of their input parameters, this number often exceeds the affordable computational cost. To overcome this issue, we apply a sparse Bayesian learning approach to the rational approximation. Through a specific prior distribution structure, sparsity is induced in the coefficients of the surrogate model. The denominator polynomial coefficients as well as the hyperparameters of the problem are determined through a type-II-maximum likelihood approach. We apply a quasi-Newton gradient-descent algorithm in order to find the optimal denominator coefficients and derive the required gradients through application of $\mathbb{CR}$-calculus.  ( 3 min )

We study Hessian estimators for functions defined over an $n$-dimensional complete analytic Riemannian manifold. We introduce new stochastic zeroth-order Hessian estimators using $O (1)$ function evaluations. We show that, for an analytic real-valued function $f$, our estimator achieves a bias bound of order $ O \left( \gamma \delta^2 \right) $, where $ \gamma $ depends on both the Levi-Civita connection and function $f$, and $\delta$ is the finite difference step size. To the best of our knowledge, our results provide the first bias bound for Hessian estimators that explicitly depends on the geometry of the underlying Riemannian manifold. We also study downstream computations based on our Hessian estimators. The supremacy of our method is evidenced by empirical evaluations.

Deep generative models for graph-structured data offer a new angle on the problem of chemical synthesis: by optimizing differentiable models that directly generate molecular graphs, it is possible to side-step expensive search procedures in the discrete and vast space of chemical structures. We introduce MolGAN, an implicit, likelihood-free generative model for small molecular graphs that circumvents the need for expensive graph matching procedures or node ordering heuristics of previous likelihood-based methods. Our method adapts generative adversarial networks (GANs) to operate directly on graph-structured data. We combine our approach with a reinforcement learning objective to encourage the generation of molecules with specific desired chemical properties. In experiments on the QM9 chemical database, we demonstrate that our model is capable of generating close to 100% valid compounds. MolGAN compares favorably both to recent proposals that use string-based (SMILES) representations of molecules and to a likelihood-based method that directly generates graphs, albeit being susceptible to mode collapse. Code at https://github.com/nicola-decao/MolGAN

We study the Langevin dynamics of a physical system with manifold structure $\mathcal{M}\subset\mathbb{R}^p$ based on collected sample points $\{\mathsf{x}_i\}_{i=1}^n \subset \mathcal{M}$ that probe the unknown manifold $\mathcal{M}$. Through the diffusion map, we first learn the reaction coordinates $\{\mathsf{y}_i\}_{i=1}^n\subset \mathcal{N}$ corresponding to $\{\mathsf{x}_i\}_{i=1}^n$, where $\mathcal{N}$ is a manifold diffeomorphic to $\mathcal{M}$ and isometrically embedded in $\mathbb{R}^\ell$ with $\ell \ll p$. The induced Langevin dynamics on $\mathcal{N}$ in terms of the reaction coordinates captures the slow time scale dynamics such as conformational changes in biochemical reactions. To construct an efficient and stable approximation for the Langevin dynamics on $\mathcal{N}$, we leverage the corresponding Fokker-Planck equation on the manifold $\mathcal{N}$ in terms of the reaction coordinates $\mathsf{y}$. We propose an implementable, unconditionally stable, data-driven finite volume scheme for this Fokker-Planck equation, which automatically incorporates the manifold structure of $\mathcal{N}$. Furthermore, we provide a weighted $L^2$ convergence analysis of the finite volume scheme to the Fokker-Planck equation on $\mathcal{N}$. The proposed finite volume scheme leads to a Markov chain on $\{\mathsf{y}_i\}_{i=1}^n$ with an approximated transition probability and jump rate between the nearest neighbor points. After an unconditionally stable explicit time discretization, the data-driven finite volume scheme gives an approximated Markov process for the Langevin dynamics on $\mathcal{N}$ and the approximated Markov process enjoys detailed balance, ergodicity, and other good properties.

We constructively show, via rigorous mathematical arguments, that GNN architectures outperform those of NN in approximating bandlimited functions on compact $d$-dimensional Euclidean grids. We show that the former only need $\mathcal{M}$ sampled functional values in order to achieve a uniform approximation error of $O_{d}(2^{-\mathcal{M}^{1/d}})$ and that this error rate is optimal, in the sense that, NNs might achieve worse.

We study the problem of designing optimal learning and decision-making formulations when only historical data is available. Prior work typically commits to a particular class of data-driven formulation and subsequently tries to establish out-of-sample performance guarantees. We take here the opposite approach. We define first a sensible yard stick with which to measure the quality of any data-driven formulation and subsequently seek to find an optimal such formulation. Informally, any data-driven formulation can be seen to balance a measure of proximity of the estimated cost to the actual cost while guaranteeing a level of out-of-sample performance. Given an acceptable level of out-of-sample performance, we construct explicitly a data-driven formulation that is uniformly closer to the true cost than any other formulation enjoying the same out-of-sample performance. We show the existence of three distinct out-of-sample performance regimes (a superexponential regime, an exponential regime and a subexponential regime) between which the nature of the optimal data-driven formulation experiences a phase transition. The optimal data-driven formulations can be interpreted as a classically robust formulation in the superexponential regime, an entropic distributionally robust formulation in the exponential regime and finally a variance penalized formulation in the subexponential regime. This final observation unveils a surprising connection between these three, at first glance seemingly unrelated, data-driven formulations which until now remained hidden.

This paper presents a new efficient black-box attribution method based on Hilbert-Schmidt Independence Criterion (HSIC), a dependence measure based on Reproducing Kernel Hilbert Spaces (RKHS). HSIC measures the dependence between regions of an input image and the output of a model based on kernel embeddings of distributions. It thus provides explanations enriched by RKHS representation capabilities. HSIC can be estimated very efficiently, significantly reducing the computational cost compared to other black-box attribution methods. Our experiments show that HSIC is up to 8 times faster than the previous best black-box attribution methods while being as faithful. Indeed, we improve or match the state-of-the-art of both black-box and white-box attribution methods for several fidelity metrics on Imagenet with various recent model architectures. Importantly, we show that these advances can be transposed to efficiently and faithfully explain object detection models such as YOLOv4. Finally, we extend the traditional attribution methods by proposing a new kernel enabling an ANOVA-like orthogonal decomposition of importance scores based on HSIC, allowing us to evaluate not only the importance of each image patch but also the importance of their pairwise interactions. Our implementation is available at https://github.com/paulnovello/HSIC-Attribution-Method.

The problem of estimating a linear functional based on observational data is canonical in both the causal inference and bandit literatures. We analyze a broad class of two-stage procedures that first estimate the treatment effect function, and then use this quantity to estimate the linear functional. We prove non-asymptotic upper bounds on the mean-squared error of such procedures: these bounds reveal that in order to obtain non-asymptotically optimal procedures, the error in estimating the treatment effect should be minimized in a certain weighted $L^2$-norm. We analyze a two-stage procedure based on constrained regression in this weighted norm, and establish its instance-dependent optimality in finite samples via matching non-asymptotic local minimax lower bounds. These results show that the optimal non-asymptotic risk, in addition to depending on the asymptotically efficient variance, depends on the weighted norm distance between the true outcome function and its approximation by the richest function class supported by the sample size.

Functional connectivity (FC) between regions of the brain is commonly estimated through statistical dependency measures applied to functional magnetic resonance imaging (fMRI) data. The resulting functional connectivity matrix (FCM) is often taken to represent the adjacency matrix of a brain graph. Recently, graph neural networks (GNNs) have been successfully applied to FCMs to learn brain graph representations. A common limitation of existing GNN approaches, however, is that they require the graph adjacency matrix to be known prior to model training. As such, it is implicitly assumed the ground-truth dependency structure of the data is known. Unfortunately, for fMRI this is not the case as the choice of which statistical measure best represents the dependency structure of the data is non-trivial. Also, most GNN applications to fMRI assume FC is static over time, which is at odds with neuroscientific evidence that functional brain networks are time-varying and dynamic. These compounded issues can have a detrimental effect on the capacity of GNNs to learn representations of brain graphs. As a solution, we propose Dynamic Brain Graph Structure Learning (DBGSL), a supervised method for learning the optimal time-varying dependency structure of fMRI data. Specifically, DBGSL learns a dynamic graph from fMRI timeseries via spatial-temporal attention applied to brain region embeddings. The resulting graph is then fed to a spatial-temporal GNN to learn a graph representation for classification. Experiments on large resting-state as well as task fMRI datasets for the task of gender classification demonstrate that DBGSL achieves state-of-the-art performance. Moreover, analysis of the learnt dynamic graphs highlights prediction-related brain regions which align with findings from existing neuroscience literature.

Computing the Jacobian of the solution of an optimization problem is a central problem in machine learning, with applications in hyperparameter optimization, meta-learning, optimization as a layer, and dataset distillation, to name a few. Unrolled differentiation is a popular heuristic that approximates the solution using an iterative solver and differentiates it through the computational path. This work provides a non-asymptotic convergence-rate analysis of this approach on quadratic objectives for gradient descent and the Chebyshev method. We show that to ensure convergence of the Jacobian, we can either 1) choose a large learning rate leading to a fast asymptotic convergence but accept that the algorithm may have an arbitrarily long burn-in phase or 2) choose a smaller learning rate leading to an immediate but slower convergence. We refer to this phenomenon as the curse of unrolling. Finally, we discuss open problems relative to this approach, such as deriving a practical update rule for the optimal unrolling strategy and making novel connections with the field of Sobolev orthogonal polynomials.

Quantum Machine Learning (QML) models are aimed at learning from data encoded in quantum states. Recently, it has been shown that models with little to no inductive biases (i.e., with no assumptions about the problem embedded in the model) are likely to have trainability and generalization issues, especially for large problem sizes. As such, it is fundamental to develop schemes that encode as much information as available about the problem at hand. In this work we present a simple, yet powerful, framework where the underlying invariances in the data are used to build QML models that, by construction, respect those symmetries. These so-called group-invariant models produce outputs that remain invariant under the action of any element of the symmetry group $\mathfrak{G}$ associated to the dataset. We present theoretical results underpinning the design of $\mathfrak{G}$-invariant models, and exemplify their application through several paradigmatic QML classification tasks including cases when $\mathfrak{G}$ is a continuous Lie group and also when it is a discrete symmetry group. Notably, our framework allows us to recover, in an elegant way, several well known algorithms for the literature, as well as to discover new ones. Taken together, we expect that our results will help pave the way towards a more geometric and group-theoretic approach to QML model design.  ( 3 min )

Efficient and automated design of optimizers plays a crucial role in full-stack AutoML systems. However, prior methods in optimizer search are often limited by their scalability, generability, or sample efficiency. With the goal of democratizing research and application of optimizer search, we present the first efficient, scalable and generalizable framework that can directly search on the tasks of interest. We first observe that optimizer updates are fundamentally mathematical expressions applied to the gradient. Inspired by the innate tree structure of the underlying math expressions, we re-arrange the space of optimizers into a super-tree, where each path encodes an optimizer. This way, optimizer search can be naturally formulated as a path-finding problem, allowing a variety of well-established tree traversal methods to be used as the search algorithm. We adopt an adaptation of the Monte Carlo method to tree search, equipped with rejection sampling and equivalent- form detection that leverage the characteristics of optimizer update rules to further boost the sample efficiency. We provide a diverse set of tasks to benchmark our algorithm and demonstrate that, with only 128 evaluations, the proposed framework can discover optimizers that surpass both human-designed counterparts and prior optimizer search methods.

In this paper, we are interested in the acceleration of numerical simulations. We focus on a hypersonic planetary reentry problem whose simulation involves coupling fluid dynamics and chemical reactions. Simulating chemical reactions takes most of the computational time but, on the other hand, cannot be avoided to obtain accurate predictions. We face a trade-off between cost-efficiency and accuracy: the simulation code has to be sufficiently efficient to be used in an operational context but accurate enough to predict the phenomenon faithfully. To tackle this trade-off, we design a hybrid simulation code coupling a traditional fluid dynamic solver with a neural network approximating the chemical reactions. We rely on their power in terms of accuracy and dimension reduction when applied in a big data context and on their efficiency stemming from their matrix-vector structure to achieve important acceleration factors ($\times 10$ to $\times 18.6$). This paper aims to explain how we design such cost-effective hybrid simulation codes in practice. Above all, we describe methodologies to ensure accuracy guarantees, allowing us to go beyond traditional surrogate modeling and to use these codes as references.

Most research in reading comprehension has focused on answering questions based on individual documents or even single paragraphs. We introduce a neural model which integrates and reasons relying on information spread within documents and across multiple documents. We frame it as an inference problem on a graph. Mentions of entities are nodes of this graph while edges encode relations between different mentions (e.g., within- and cross-document co-reference). Graph convolutional networks (GCNs) are applied to these graphs and trained to perform multi-step reasoning. Our Entity-GCN method is scalable and compact, and it achieves state-of-the-art results on a multi-document question answering dataset, WikiHop (Welbl et al., 2018).

The Variational Auto-Encoder (VAE) is one of the most used unsupervised machine learning models. But although the default choice of a Gaussian distribution for both the prior and posterior represents a mathematically convenient distribution often leading to competitive results, we show that this parameterization fails to model data with a latent hyperspherical structure. To address this issue we propose using a von Mises-Fisher (vMF) distribution instead, leading to a hyperspherical latent space. Through a series of experiments we show how such a hyperspherical VAE, or $\mathcal{S}$-VAE, is more suitable for capturing data with a hyperspherical latent structure, while outperforming a normal, $\mathcal{N}$-VAE, in low dimensions on other data types. Code at this http URL and https://github.com/nicola-decao/s-vae-pytorch

In many contexts, simpler models are preferable to more complex models and the control of this model complexity is the goal for many methods in machine learning such as regularization, hyperparameter tuning and architecture design. In deep learning, it has been difficult to understand the underlying mechanisms of complexity control, since many traditional measures are not naturally suitable for deep neural networks. Here we develop the notion of geometric complexity, which is a measure of the variability of the model function, computed using a discrete Dirichlet energy. Using a combination of theoretical arguments and empirical results, we show that many common training heuristics such as parameter norm regularization, spectral norm regularization, flatness regularization, implicit gradient regularization, noise regularization and the choice of parameter initialization all act to control geometric complexity, providing a unifying framework in which to characterize the behavior of deep learning models.

Commonly in reinforcement learning (RL), rewards are discounted over time using an exponential function to model time preference, thereby bounding the expected long-term reward. In contrast, in economics and psychology, it has been shown that humans often adopt a hyperbolic discounting scheme, which is optimal when a specific task termination time distribution is assumed. In this work, we propose a theory for continuous-time model-based reinforcement learning generalized to arbitrary discount functions. This formulation covers the case in which there is a non-exponential random termination time. We derive a Hamilton-Jacobi-Bellman (HJB) equation characterizing the optimal policy and describe how it can be solved using a collocation method, which uses deep learning for function approximation. Further, we show how the inverse RL problem can be approached, in which one tries to recover properties of the discount function given decision data. We validate the applicability of our proposed approach on two simulated problems. Our approach opens the way for the analysis of human discounting in sequential decision-making tasks.

Generative adversarial networks (GANs) have proven effective in modeling distributions of high-dimensional data. However, their training instability is a well-known hindrance to convergence, which results in practical challenges in their applications to novel data. Furthermore, even when convergence is reached, GANs can be affected by mode collapse, a phenomenon for which the generator learns to model only a small part of the target distribution, disregarding the vast majority of the data manifold or distribution. This paper addresses these challenges by introducing SetGAN, an adversarial architecture that processes sets of generated and real samples, and discriminates between the origins of these sets (i.e., training versus generated data) in a flexible, permutation invariant manner. We also propose a new metric to quantitatively evaluate GANs that does not require previous knowledge of the application, apart from the data itself. Using the new metric, in conjunction with the state-of-the-art evaluation methods, we show that the proposed architecture, when compared with GAN variants stemming from similar strategies, produces more accurate models of the input data in a way that is also less sensitive to hyperparameter settings.

Functional connections in the brain are frequently represented by weighted networks, with nodes representing locations in the brain, and edges representing the strength of connectivity between these locations. One challenge in analyzing such data is that inference at the individual edge level is not particularly biologically meaningful; interpretation is more useful at the level of so-called functional regions, or groups of nodes and connections between them; this is often called "graph-aware" inference in the neuroimaging literature. However, pooling over functional regions leads to significant loss of information and lower accuracy. Another challenge is correlation among edge weights within a subject, which makes inference based on independence assumptions unreliable. We address both these challenges with a linear mixed effects model, which accounts for functional regions and for edge dependence, while still modeling individual edge weights to avoid loss of information. The model allows for comparing two populations, such as patients and healthy controls, both at the functional regions level and at individual edge level, leading to biologically meaningful interpretations. We fit this model to a resting state fMRI data on schizophrenics and healthy controls, obtaining interpretable results consistent with the schizophrenia literature.

Sliced Wasserstein (SW) distance has been widely used in different application scenarios since it can be scaled to a large number of supports without suffering from the curse of dimensionality. The value of sliced Wasserstein distance is the average of transportation cost between one-dimensional representations (projections) of original measures that are obtained by Radon Transform (RT). Despite its efficiency in the number of supports, estimating the sliced Wasserstein requires a relatively large number of projections in high-dimensional settings. Therefore, for applications where the number of supports is relatively small compared with the dimension, e.g., several deep learning applications where the mini-batch approaches are utilized, the complexities from matrix multiplication of Radon Transform become the main computational bottleneck. To address this issue, we propose to derive projections by linearly and randomly combining a smaller number of projections which are named bottleneck projections. We explain the usage of these projections by introducing Hierarchical Radon Transform (HRT) which is constructed by applying Radon Transform variants recursively. We then formulate the approach into a new metric between measures, named Hierarchical Sliced Wasserstein (HSW) distance. By proving the injectivity of HRT, we derive the metricity of HSW. Moreover, we investigate the theoretical properties of HSW including its connection to SW variants and its computational and sample complexities. Finally, we compare the computational cost and generative quality of HSW with the conventional SW on the task of deep generative modeling using various benchmark datasets including CIFAR10, CelebA, and Tiny ImageNet.

The primary hyperparameter in kernel regression (KR) is the choice of kernel. In most theoretical studies of KR, one assumes the kernel is fixed before seeing the training data. Under this assumption, it is known that the optimal kernel is equal to the prior covariance of the target function. In this note, we consider KR in which the kernel may be updated after seeing the training data. We point out that an analogous choice of kernel using the posterior of the target function is optimal in this setting. Connections to the view of deep neural networks as data-dependent kernel learners are discussed.  ( 2 min )

We rigorously prove that deep Gaussian process priors can outperform Gaussian process priors if the target function has a compositional structure. To this end, we study information-theoretic lower bounds for posterior contraction rates for Gaussian process regression in a continuous regression model. We show that if the true function is a generalized additive function, then the posterior based on any mean-zero Gaussian process can only recover the truth at a rate that is strictly slower than the minimax rate by a factor that is polynomially suboptimal in the sample size $n$.  ( 2 min )

The practice of applying several local updates before aggregation across clients has been empirically shown to be a successful approach to overcoming the communication bottleneck in Federated Learning (FL). Such methods are usually implemented by having clients perform one or more epochs of local training per round while randomly reshuffling their finite dataset in each epoch. Data imbalance, where clients have different numbers of local training samples, is ubiquitous in FL applications, resulting in different clients performing different numbers of local updates in each round. In this work, we propose a general recipe, FedShuffle, that better utilizes the local updates in FL, especially in this regime encompassing random reshuffling and heterogeneity. FedShuffle is the first local update method with theoretical convergence guarantees that incorporates random reshuffling, data imbalance, and client sampling - features that are essential in large-scale cross-device FL. We present a comprehensive theoretical analysis of FedShuffle and show, both theoretically and empirically, that it does not suffer from the objective function mismatch that is present in FL methods that assume homogeneous updates in heterogeneous FL setups, such as FedAvg (McMahan et al., 2017). In addition, by combining the ingredients above, FedShuffle improves upon FedNova (Wang et al., 2020), which was previously proposed to solve this mismatch. Similar to Mime (Karimireddy et al., 2020), we show that FedShuffle with momentum variance reduction (Cutkosky & Orabona, 2019) improves upon non-local methods under a Hessian similarity assumption.  ( 3 min )

Graph clustering is the process of grouping vertices into densely connected sets called clusters. We tailor two mathematical programming formulations from the literature, to this problem. In doing so, we obtain a heuristic approximation to the intra-cluster density maximization problem. We use two variations of a Boltzmann machine heuristic to obtain numerical solutions. For benchmarking purposes, we compare solution quality and computational performances to those obtained using a commercial solver, Gurobi. We also compare clustering quality to the clusters obtained using the popular Louvain modularity maximization method. Our initial results clearly demonstrate the superiority of our problem formulations. They also establish the superiority of the Boltzmann machine over the traditional exact solver. In the case of smaller less complex graphs, Boltzmann machines provide the same solutions as Gurobi, but with solution times that are orders of magnitude lower. In the case of larger and more complex graphs, Gurobi fails to return meaningful results within a reasonable time frame. Finally, we also note that both our clustering formulations, the distance minimization and $K$-medoids, yield clusters of superior quality to those obtained with the Louvain algorithm.  ( 3 min )

Recent research has revealed that reducing the temporal and spatial redundancy are both effective approaches towards efficient video recognition, e.g., allocating the majority of computation to a task-relevant subset of frames or the most valuable image regions of each frame. However, in most existing works, either type of redundancy is typically modeled with another absent. This paper explores the unified formulation of spatial-temporal dynamic computation on top of the recently proposed AdaFocusV2 algorithm, contributing to an improved AdaFocusV3 framework. Our method reduces the computational cost by activating the expensive high-capacity network only on some small but informative 3D video cubes. These cubes are cropped from the space formed by frame height, width, and video duration, while their locations are adaptively determined with a light-weighted policy network on a per-sample basis. At test time, the number of the cubes corresponding to each video is dynamically configured, i.e., video cubes are processed sequentially until a sufficiently reliable prediction is produced. Notably, AdaFocusV3 can be effectively trained by approximating the non-differentiable cropping operation with the interpolation of deep features. Extensive empirical results on six benchmark datasets (i.e., ActivityNet, FCVID, Mini-Kinetics, Something-Something V1&V2 and Diving48) demonstrate that our model is considerably more efficient than competitive baselines.  ( 2 min )

Shapley value is a popular approach for measuring the influence of individual features. While Shapley feature attribution is built upon desiderata from game theory, some of its constraints may be less natural in certain machine learning settings, leading to unintuitive model interpretation. In particular, the Shapley value uses the same weight for all marginal contributions -- i.e. it gives the same importance when a large number of other features are given versus when a small number of other features are given. This property can be problematic if larger feature sets are more or less informative than smaller feature sets. Our work performs a rigorous analysis of the potential limitations of Shapley feature attribution. We identify simple settings where the Shapley value is mathematically suboptimal by assigning larger attributions for less influential features. Motivated by this observation, we propose WeightedSHAP, which generalizes the Shapley value and learns which marginal contributions to focus directly from data. On several real-world datasets, we demonstrate that the influential features identified by WeightedSHAP are better able to recapitulate the model's predictions compared to the features identified by the Shapley value.  ( 2 min )

Graph Neural Networks (GNNs) have gained momentum in graph representation learning and boosted the state of the art in a variety of areas, such as data mining (\emph{e.g.,} social network analysis and recommender systems), computer vision (\emph{e.g.,} object detection and point cloud learning), and natural language processing (\emph{e.g.,} relation extraction and sequence learning), to name a few. With the emergence of Transformers in natural language processing and computer vision, graph Transformers embed a graph structure into the Transformer architecture to overcome the limitations of local neighborhood aggregation while avoiding strict structural inductive biases. In this paper, we present a comprehensive review of GNNs and graph Transformers in computer vision from a task-oriented perspective. Specifically, we divide their applications in computer vision into five categories according to the modality of input data, \emph{i.e.,} 2D natural images, videos, 3D data, vision + language, and medical images. In each category, we further divide the applications according to a set of vision tasks. Such a task-oriented taxonomy allows us to examine how each task is tackled by different GNN-based approaches and how well these approaches perform. Based on the necessary preliminaries, we provide the definitions and challenges of the tasks, in-depth coverage of the representative approaches, as well as discussions regarding insights, limitations, and future directions.  ( 3 min )

Antibody design is valuable for therapeutic usage and biological research. Existing deep-learning-based methods encounter several key issues: 1) incomplete context for Complementarity-Determining Regions (CDRs) generation; 2) incapable of capturing the entire 3D geometry of the input structure; 3) inefficient prediction of the CDR sequences in an autoregressive manner. In this paper, we propose Multi-channel Equivariant Attention Network (MEAN), an end-to-end model that is able to co-design 1D sequences and 3D structures of CDRs. To be specific, MEAN formulates antibody design as a conditional graph translation problem by importing extra components including the target antigen and the light chain of the antibody. Then, MEAN resorts to E(3)-equivariant message passing along with a proposed attention mechanism to better capture the geometrical correlation between different components. Finally, it outputs both the 1D sequences and 3D structure via a multi-round progressive full-shot scheme, which enjoys more efficiency against previous autoregressive approaches. Our method significantly surpasses state-of-the-art models in sequence and structure modeling, antigen-binding antibody design, and binding affinity optimization. Specifically, the relative improvement to baselines is about 23% in antigen-binding CDR design and 34% for affinity optimization.  ( 2 min )

We propose DeepFusion, a modular multi-modal architecture to fuse lidars, cameras and radars in different combinations for 3D object detection. Specialized feature extractors take advantage of each modality and can be exchanged easily, making the approach simple and flexible. Extracted features are transformed into bird's-eye-view as a common representation for fusion. Spatial and semantic alignment is performed prior to fusing modalities in the feature space. Finally, a detection head exploits rich multi-modal features for improved 3D detection performance. Experimental results for lidar-camera, lidar-camera-radar and camera-radar fusion show the flexibility and effectiveness of our fusion approach. In the process, we study the largely unexplored task of faraway car detection up to 225 meters, showing the benefits of our lidar-camera fusion. Furthermore, we investigate the required density of lidar points for 3D object detection and illustrate implications at the example of robustness against adverse weather conditions. Moreover, ablation studies on our camera-radar fusion highlight the importance of accurate depth estimation.  ( 2 min )

To create models that are robust across a wide range of test inputs, training datasets should include diverse examples that span numerous phenomena. Dynamic adversarial data collection (DADC), where annotators craft examples that challenge continually improving models, holds promise as an approach for generating such diverse training sets. Prior work has shown that running DADC over 1-3 rounds can help models fix some error types, but it does not necessarily lead to better generalization beyond adversarial test data. We argue that running DADC over many rounds maximizes its training-time benefits, as the different rounds can together cover many of the task-relevant phenomena. We present the first study of longer-term DADC, where we collect 20 rounds of NLI examples for a small set of premise paragraphs, with both adversarial and non-adversarial approaches. Models trained on DADC examples make 26% fewer errors on our expert-curated test set compared to models trained on non-adversarial data. Our analysis shows that DADC yields examples that are more difficult, more lexically and syntactically diverse, and contain fewer annotation artifacts compared to non-adversarial examples.  ( 2 min )

Applications abound in which optimization problems must be repeatedly solved, each time with new (but similar) data. Analytic optimization algorithms can be hand-designed to provably solve these problems in an iterative fashion. On one hand, data-driven algorithms can "learn to optimize" (L2O) with much fewer iterations and similar cost per iteration as general-purpose optimization algorithms. On the other hand, unfortunately, many L2O algorithms lack converge guarantees. To fuse the advantages of these approaches, we present a Safe-L2O framework. Safe-L2O updates incorporate a safeguard to guarantee convergence for convex problems with proximal and/or gradient oracles. The safeguard is simple and computationally cheap to implement, and it is activated only when the data-driven L2O updates would perform poorly or appear to diverge. This yields the numerical benefits of employing machine learning to create rapid L2O algorithms while still guaranteeing convergence. Our numerical examples show convergence of Safe-L2O algorithms, even when the provided data is not from the distribution of training data.  ( 2 min )

We study active sampling algorithms for linear regression, which aim to query only a few entries of a target vector $b\in\mathbb R^n$ and output a near minimizer to $\min_{x\in\mathbb R^d} \|Ax-b\|$, for a design matrix $A\in\mathbb R^{n \times d}$ and loss $\|\cdot\|$. For $p$ norm regression for any $0<p<\infty$, we give an algorithm based on Lewis weight sampling outputting a $(1+\epsilon)$-approximate solution using just $\tilde O(d/\epsilon^2)$ queries to $b$ for $p\in(0,1)$, $\tilde{O}(d/\epsilon)$ queries for $1<p<2$, and $\tilde{O}(d^{p/2}/\epsilon^p)$ queries for $2<p<\infty$. For $0<p<2$, our bounds are optimal up to log factors, settling the query complexity for this range. For $2<p<\infty$, our dependence on $d$ is optimal, while our dependence on $\epsilon$ is off by at most $\epsilon$, up to log factors. Our result resolves an open question of [CD21], who gave near optimal bounds for the $1$ norm, but required $d^2/\epsilon^2$ samples for $\ell_p$ regression with $1<p<2$, and gave no bounds for $2<p<\infty$ or $0<p<1$. We also give the first total sensitivity bound of $O(d^{\max\{1,p/2\}}\log^2n)$ for loss functions of degree $p$ polynomial growth, improving a result of [TMF20]. By combining this with our techniques for $\ell_p$ regression, we obtain an active regression algorithm making $\tilde O(d^{1+\max\{1,p/2\}}/\mathrm{poly}(\epsilon))$ queries for such loss functions, including the Tukey and Huber losses, answering another question of [CD21]. For the Huber loss, we further improve our bound to $\tilde O(d^{4-2\sqrt2}/\mathrm{poly}(\epsilon))$ samples. Our sensitivity bounds also have many applications, including Orlicz norm subspace embeddings, robust subspace approximation, and dimension reduction for smoothed $p$-norms. Finally, our active sampling results give the first sublinear time algorithms for Kronecker product regression under every $p$ norm.  ( 3 min )

We study the problem of designing optimal learning and decision-making formulations when only historical data is available. Prior work typically commits to a particular class of data-driven formulation and subsequently tries to establish out-of-sample performance guarantees. We take here the opposite approach. We define first a sensible yard stick with which to measure the quality of any data-driven formulation and subsequently seek to find an optimal such formulation. Informally, any data-driven formulation can be seen to balance a measure of proximity of the estimated cost to the actual cost while guaranteeing a level of out-of-sample performance. Given an acceptable level of out-of-sample performance, we construct explicitly a data-driven formulation that is uniformly closer to the true cost than any other formulation enjoying the same out-of-sample performance. We show the existence of three distinct out-of-sample performance regimes (a superexponential regime, an exponential regime and a subexponential regime) between which the nature of the optimal data-driven formulation experiences a phase transition. The optimal data-driven formulations can be interpreted as a classically robust formulation in the superexponential regime, an entropic distributionally robust formulation in the exponential regime and finally a variance penalized formulation in the subexponential regime. This final observation unveils a surprising connection between these three, at first glance seemingly unrelated, data-driven formulations which until now remained hidden.  ( 3 min )

Improving the interactivity and interconnectivity between people is one of the highlights of the Metaverse. The Metaverse relies on a core approach, digital twinning, which is a means to replicate physical world objects, people, actions and scenes onto the virtual world. Being able to access scenes and information associated with the physical world, in the Metaverse in real-time and under mobility, is essential in developing a highly accessible, interactive and interconnective experience for all users. This development allows users from other locations to access high-quality real-world and up-to-date information about events happening in another location, and socialize with others hyper-interactively. Nevertheless, receiving continual, smooth updates generated by others from the Metaverse is a challenging task due to the large data size of the virtual world graphics and the need for low latency transmission. With the development of Mobile Augmented Reality (MAR), users can interact via the Metaverse in a highly interactive manner, even under mobility. Hence in our work, we considered an environment with users in moving Internet of Vehicles (IoV), downloading real-time virtual world updates from Metaverse Service Provider Cell Stations (MSPCSs) via wireless communications. We design an environment with multiple cell stations, where there will be a handover of users' virtual world graphic download tasks between cell stations. As transmission latency is the primary concern in receiving virtual world updates under mobility, our work aims to allocate system resources to minimize the total time taken for users in vehicles to download their virtual world scenes from the cell stations. We utilize deep reinforcement learning and evaluate the performance of the algorithms under different environmental configurations. Our work provides a use case of the Metaverse over AI-enabled 6G communications.  ( 3 min )

Computational models have become a powerful tool in the quantitative sciences to understand the behaviour of complex systems that evolve in time. However, they often contain a potentially large number of free parameters whose values cannot be obtained from theory but need to be inferred from data. This is especially the case for models in the social sciences, economics, or computational epidemiology. Yet many current parameter estimation methods are mathematically involved and computationally slow to run. In this paper we present a computationally simple and fast method to retrieve accurate probability densities for model parameters using neural differential equations. We present a pipeline comprising multi-agent models acting as forward solvers for systems of ordinary or stochastic differential equations, and a neural network to then extract parameters from the data generated by the model. The two combined create a powerful tool that can quickly estimate densities on model parameters, even for very large systems. We demonstrate the method on synthetic time series data of the SIR model of the spread of infection, and perform an in-depth analysis of the Harris-Wilson model of economic activity on a network, representing a non-convex problem. For the latter, we apply our method both to synthetic data and to data of economic activity across Greater London. We find that our method calibrates the model orders of magnitude more accurately than a previous study of the same dataset using classical techniques, while running between 195 and 390 times faster.  ( 3 min )

We constructively show, via rigorous mathematical arguments, that GNN architectures outperform those of NN in approximating bandlimited functions on compact $d$-dimensional Euclidean grids. We show that the former only need $\mathcal{M}$ sampled functional values in order to achieve a uniform approximation error of $O_{d}(2^{-\mathcal{M}^{1/d}})$ and that this error rate is optimal, in the sense that, NNs might achieve worse.  ( 2 min )

Error correction code (ECC) is an integral part of the physical communication layer, ensuring reliable data transfer over noisy channels. Recently, neural decoders have demonstrated their advantage over classical decoding techniques. However, recent state-of-the-art neural decoders suffer from high complexity and lack the important iterative scheme characteristic of many legacy decoders. In this work, we propose to employ denoising diffusion models for the soft decoding of linear codes at arbitrary block lengths. Our framework models the forward channel corruption as a series of diffusion steps that can be reversed iteratively. Three contributions are made: (i) a diffusion process suitable for the decoding setting is introduced, (ii) the neural diffusion decoder is conditioned on the number of parity errors, which indicates the level of corruption at a given step, (iii) a line search procedure based on the code's syndrome obtains the optimal reverse diffusion step size. The proposed approach demonstrates the power of diffusion models for ECC and is able to achieve state of the art accuracy, outperforming the other neural decoders by sizable margins, even for a single reverse diffusion step.  ( 2 min )

With deep neural networks (DNNs) emerging as the backbone in a multitude of computer vision tasks, their adoption in real-world consumer applications broadens continuously. Given the abundance and omnipresence of smart devices, "smart ecosystems" are being formed where sensing happens simultaneously rather than standalone. This is shifting the on-device inference paradigm towards deploying centralised neural processing units (NPUs) at the edge, where multiple devices (e.g. in smart homes or autonomous vehicles) can stream their data for processing with dynamic rates. While this provides enhanced potential for input batching, naive solutions can lead to subpar performance and quality of experience, especially under spiking loads. At the same time, the deployment of dynamic DNNs, comprising stochastic computation graphs (e.g. early-exit (EE) models), introduces a new dimension of dynamic behaviour in such systems. In this work, we propose a novel early-exit-aware scheduling algorithm that allows sample preemption at run time, to account for the dynamicity introduced both by the arrival and early-exiting processes. At the same time, we introduce two novel dimensions to the design space of the NPU hardware architecture, namely Fluid Batching and Stackable Processing Elements, that enable run-time adaptability to different batch sizes and significantly improve the NPU utilisation even at small batch sizes. Our evaluation shows that our system achieves an average 1.97x and 6.7x improvement over state-of-the-art DNN streaming systems in terms of average latency and tail latency SLO satisfaction, respectively.  ( 3 min )

Investment professionals rely on extrapolating company revenue into the future (i.e. revenue forecast) to approximate the valuation of scaleups (private companies in a high-growth stage) and inform their investment decision. This task is manual and empirical, leaving the forecast quality heavily dependent on the investment professionals' experiences and insights. Furthermore, financial data on scaleups is typically proprietary, costly and scarce, ruling out the wide adoption of data-driven approaches. To this end, we propose a simulation-informed revenue extrapolation (SiRE) algorithm that generates fine-grained long-term revenue predictions on small datasets and short time-series. SiRE models the revenue dynamics as a linear dynamical system (LDS), which is solved using the EM algorithm. The main innovation lies in how the noisy revenue measurements are obtained during training and inferencing. SiRE works for scaleups that operate in various sectors and provides confidence estimates. The quantitative experiments on two practical tasks show that SiRE significantly surpasses the baseline methods by a large margin. We also observe high performance when SiRE extrapolates long-term predictions from short time-series. The performance-efficiency balance and result explainability of SiRE are also validated empirically. Evaluated from the perspective of investment professionals, SiRE can precisely locate the scaleups that have a great potential return in 2 to 5 years. Furthermore, our qualitative inspection illustrates some advantageous attributes of the SiRE revenue forecasts.  ( 3 min )

Semantic search is an important task which objective is to find the relevant index from a database for query. It requires a retrieval model that can properly learn the semantics of sentences. Transformer-based models are widely used as retrieval models due to their excellent ability to learn semantic representations. in the meantime, many regularization methods suitable for them have also been proposed. In this paper, we propose a new regularization method: Regularized Contrastive Learning, which can help transformer-based models to learn a better representation of sentences. It firstly augments several different semantic representations for every sentence, then take them into the contrastive objective as regulators. These contrastive regulators can overcome overfitting issues and alleviate the anisotropic problem. We firstly evaluate our approach on 7 semantic search benchmarks with the outperforming pre-trained model SRoBERTA. The results show that our method is more effective for learning a superior sentence representation. Then we evaluate our approach on 2 challenging FAQ datasets, Cough and Faqir, which have long query and index. The results of our experiments demonstrate that our method outperforms baseline methods.  ( 2 min )

Artificial intelligence (AI) systems hold great promise to improve healthcare over the next decades. Specifically, AI systems leveraging multiple data sources and input modalities are poised to become a viable method to deliver more accurate results and deployable pipelines across a wide range of applications. In this work, we propose and evaluate a unified Holistic AI in Medicine (HAIM) framework to facilitate the generation and testing of AI systems that leverage multimodal inputs. Our approach uses generalizable data pre-processing and machine learning modeling stages that can be readily adapted for research and deployment in healthcare environments. We evaluate our HAIM framework by training and characterizing 14,324 independent models based on HAIM-MIMIC-MM, a multimodal clinical database (N=34,537 samples) containing 7,279 unique hospitalizations and 6,485 patients, spanning all possible input combinations of 4 data modalities (i.e., tabular, time-series, text, and images), 11 unique data sources and 12 predictive tasks. We show that this framework can consistently and robustly produce models that outperform similar single-source approaches across various healthcare demonstrations (by 6-33%), including 10 distinct chest pathology diagnoses, along with length-of-stay and 48-hour mortality predictions. We also quantify the contribution of each modality and data source using Shapley values, which demonstrates the heterogeneity in data modality importance and the necessity of multimodal inputs across different healthcare-relevant tasks. The generalizable properties and flexibility of our Holistic AI in Medicine (HAIM) framework could offer a promising pathway for future multimodal predictive systems in clinical and operational healthcare settings.  ( 3 min )

Traffic forecasting is essential for the traffic construction of smart cities in the new era. However, traffic data's complex spatial and temporal dependencies make traffic forecasting extremely challenging. Most existing traffic forecasting methods rely on the predefined adjacency matrix to model the Spatio-temporal dependencies. Nevertheless, the road traffic state is highly real-time, so the adjacency matrix should change dynamically with time. This article presents a new Multi-Spatio-temporal Fusion Graph Recurrent Network (MSTFGRN) to address the issues above. The network proposes a data-driven weighted adjacency matrix generation method to compensate for real-time spatial dependencies not reflected by the predefined adjacency matrix. It also efficiently learns hidden Spatio-temporal dependencies by performing a new two-way Spatio-temporal fusion operation on parallel Spatio-temporal relations at different moments. Finally, global Spatio-temporal dependencies are captured simultaneously by integrating a global attention mechanism into the Spatio-temporal fusion module. Extensive trials on four large-scale, real-world traffic datasets demonstrate that our method achieves state-of-the-art performance compared to alternative baselines.  ( 2 min )

Typically, fair machine learning research focuses on a single decisionmaker and assumes that the underlying population is stationary. However, many of the critical domains motivating this work are characterized by competitive marketplaces with many decisionmakers. Realistically, we might expect only a subset of them to adopt any non-compulsory fairness-conscious policy, a situation that political philosophers call partial compliance. This possibility raises important questions: how does the strategic behavior of decision subjects in partial compliance settings affect the allocation outcomes? If k% of employers were to voluntarily adopt a fairness-promoting intervention, should we expect k% progress (in aggregate) towards the benefits of universal adoption, or will the dynamics of partial compliance wash out the hoped-for benefits? How might adopting a global (versus local) perspective impact the conclusions of an auditor? In this paper, we propose a simple model of an employment market, leveraging simulation as a tool to explore the impact of both interaction effects and incentive effects on outcomes and auditing metrics. Our key findings are that at equilibrium: (1) partial compliance (k% of employers) can result in far less than proportional (k%) progress towards the full compliance outcomes; (2) the gap is more severe when fair employers match global (vs local) statistics; (3) choices of local vs global statistics can paint dramatically different pictures of the performance vis-a-vis fairness desiderata of compliant versus non-compliant employers; and (4) partial compliance to local parity measures can induce extreme segregation.  ( 3 min )

In this discussion paper, we survey recent research surrounding robustness of machine learning models. As learning algorithms become increasingly more popular in data-driven control systems, their robustness to data uncertainty must be ensured in order to maintain reliable safety-critical operations. We begin by reviewing common formalisms for such robustness, and then move on to discuss popular and state-of-the-art techniques for training robust machine learning models as well as methods for provably certifying such robustness. From this unification of robust machine learning, we identify and discuss pressing directions for future research in the area.  ( 2 min )

Classical machine learning (ML) provides a potentially powerful approach to solving challenging quantum many-body problems in physics and chemistry. However, the advantages of ML over more traditional methods have not been firmly established. In this work, we prove that classical ML algorithms can efficiently predict ground state properties of gapped Hamiltonians in finite spatial dimensions, after learning from data obtained by measuring other Hamiltonians in the same quantum phase of matter. In contrast, under widely accepted complexity theory assumptions, classical algorithms that do not learn from data cannot achieve the same guarantee. We also prove that classical ML algorithms can efficiently classify a wide range of quantum phases of matter. Our arguments are based on the concept of a classical shadow, a succinct classical description of a many-body quantum state that can be constructed in feasible quantum experiments and be used to predict many properties of the state. Extensive numerical experiments corroborate our theoretical results in a variety of scenarios, including Rydberg atom systems, 2D random Heisenberg models, symmetry-protected topological phases, and topologically ordered phases.  ( 3 min )

An analytical study of the disease COVID-19 in Colombia was carried out using mathematical models such as Susceptible-Exposed-Infectious-Removed (SEIR), Logistic Regression (LR), and a machine learning method called Polynomial Regression Method. Previous analysis has been performed on the daily number of cases, deaths, infected people, and people who were exposed to the virus, all of them in a timeline of 550 days. Moreover, it has made the fitting of infection spread detailing the most efficient and optimal methods with lower propagation error and the presence of statistical biases. Finally, four different prevention scenarios were proposed to evaluate the ratio of each one of the parameters related to the disease.  ( 3 min )

Out-of-distribution (OOD) learning deals with scenarios in which training and test data follow different distributions. Although general OOD problems have been intensively studied in machine learning, graph OOD is only an emerging area of research. Currently, there lacks a systematic benchmark tailored to graph OOD method evaluation. In this work, we aim at developing an OOD benchmark, known as GOOD, for graphs specifically. We explicitly make distinctions between covariate and concept shifts and design data splits that accurately reflect different shifts. We consider both graph and node prediction tasks as there are key differences in designing shifts. Overall, GOOD contains 11 datasets with 17 domain selections. When combined with covariate, concept, and no shifts, we obtain 51 different splits. We provide performance results on 10 commonly used baseline methods with 10 random runs. This results in 510 dataset-model combinations in total. Our results show significant performance gaps between in-distribution and OOD settings. Our results also shed light on different performance trends between covariate and concept shifts by different methods. Our GOOD benchmark is a growing project and expects to expand in both quantity and variety of resources as the area develops. The GOOD benchmark can be accessed via https://github.com/divelab/GOOD/.  ( 2 min )

The widespread use of black-box AI models has raised the need for algorithms and methods that explain the decisions made by these models. In recent years, the AI research community is increasingly interested in models' explainability since black-box models take over more and more complicated and challenging tasks. Explainability becomes critical considering the dominance of deep learning techniques for a wide range of applications, including but not limited to computer vision. In the direction of understanding the inference process of deep learning models, many methods that provide human comprehensible evidence for the decisions of AI models have been developed, with the vast majority relying their operation on having access to the internal architecture and parameters of these models (e.g., the weights of neural networks). We propose a model-agnostic method for generating saliency maps that has access only to the output of the model and does not require additional information such as gradients. We use Differential Evolution (DE) to identify which image pixels are the most influential in a model's decision-making process and produce class activation maps (CAMs) whose quality is comparable to the quality of CAMs created with model-specific algorithms. DE-CAM achieves good performance without requiring access to the internal details of the model's architecture at the cost of more computational complexity.  ( 3 min )

Artificial intelligence (AI) systems are increasingly used for providing advice to facilitate human decision making. While a large body of work has explored how AI systems can be optimized to produce accurate and fair advice and how algorithmic advice should be presented to human decision makers, in this work we ask a different basic question: When should algorithms provide advice? Motivated by limitations of the current practice of constantly providing algorithmic advice, we propose the design of AI systems that interact with the human user in a two-sided manner and provide advice only when it is likely to be beneficial to the human in making their decision. Our AI systems learn advising policies using past human decisions. Then, for new cases, the learned policies utilize input from the human to identify cases where algorithmic advice would be useful, as well as those where the human is better off deciding alone. We conduct a large-scale experiment to evaluate our approach by using data from the US criminal justice system on pretrial-release decisions. In our experiment, participants were asked to assess the risk of defendants to violate their release terms if released and were advised by different advising approaches. The results show that our interactive-advising approach manages to provide advice at times of need and to significantly improve human decision making compared to fixed, non-interactive advising approaches. Our approach has additional advantages in facilitating human learning, preserving complementary strengths of human decision makers, and leading to more positive responsiveness to the advice.  ( 3 min )

Recurrent Neural Networks (RNNs) have achieved tremendous success in sequential data processing. However, it is quite challenging to interpret and verify RNNs' behaviors directly. To this end, many efforts have been made to extract finite automata from RNNs. Existing approaches such as exact learning are effective in extracting finite-state models to characterize the state dynamics of RNNs for formal languages, but are limited in the scalability to process natural languages. Compositional approaches that are scablable to natural languages fall short in extraction precision. In this paper, we identify the transition sparsity problem that heavily impacts the extraction precision. To address this problem, we propose a transition rule extraction approach, which is scalable to natural language processing models and effective in improving extraction precision. Specifically, we propose an empirical method to complement the missing rules in the transition diagram. In addition, we further adjust the transition matrices to enhance the context-aware ability of the extracted weighted finite automaton (WFA). Finally, we propose two data augmentation tactics to track more dynamic behaviors of the target RNN. Experiments on two popular natural language datasets show that our method can extract WFA from RNN for natural language processing with better precision than existing approaches. Our code is available at https://github.com/weizeming/Extract_WFA_from_RNN_for_NL.

Current visual text analysis approaches rely on sophisticated processing pipelines. Each step of such a pipeline potentially amplifies any uncertainties from the previous step. To ensure the comprehensibility and interoperability of the results, it is of paramount importance to clearly communicate the uncertainty not only of the output but also within the pipeline. In this paper, we characterize the sources of uncertainty along the visual text analysis pipeline. Within its three phases of labeling, modeling, and analysis, we identify six sources, discuss the type of uncertainty they create, and how they propagate.  ( 2 min )

Surrogate models are used to alleviate the computational burden in engineering tasks, which require the repeated evaluation of computationally demanding models of physical systems, such as the efficient propagation of uncertainties. For models that show a strongly non-linear dependence on their input parameters, standard surrogate techniques, such as polynomial chaos expansion, are not sufficient to obtain an accurate representation of the original model response. Through applying a rational approximation instead, the approximation error can be efficiently reduced for models whose non-linearity is accurately described through a rational function. Specifically, our aim is to approximate complex-valued models. A common approach to obtain the coefficients in the surrogate is to minimize the sample-based error between model and surrogate in the least-square sense. In order to obtain an accurate representation of the original model and to avoid overfitting, the sample set has be two to three times the number of polynomial terms in the expansion. For models that require a high polynomial degree or are high-dimensional in terms of their input parameters, this number often exceeds the affordable computational cost. To overcome this issue, we apply a sparse Bayesian learning approach to the rational approximation. Through a specific prior distribution structure, sparsity is induced in the coefficients of the surrogate model. The denominator polynomial coefficients as well as the hyperparameters of the problem are determined through a type-II-maximum likelihood approach. We apply a quasi-Newton gradient-descent algorithm in order to find the optimal denominator coefficients and derive the required gradients through application of $\mathbb{CR}$-calculus.

While machine learning models rapidly advance the state-of-the-art on various real-world tasks, out-of-domain (OOD) generalization remains a challenging problem given the vulnerability of these models to spurious correlations. We propose a balanced mini-batch sampling strategy to transform a biased data distribution into a spurious-free balanced distribution, based on the invariance of the underlying causal mechanisms for the data generation process. We argue that the Bayes optimal classifiers trained on such balanced distribution are minimax optimal across a diverse enough environment space. We also provide an identifiability guarantee of the latent variable model of the proposed data generation process, when utilizing enough train environments. Experiments are conducted on DomainBed, demonstrating empirically that our method obtains the best performance across 20 baselines reported on the benchmark.

Virus infection is one of the major diseases that seriously threaten human health. To meet the growing demand for mining and sharing data resources related to antiviral drugs and to accelerate the design and discovery of new antiviral drugs, we presented an open-access antiviral drug resource and machine learning platform (VDDB), which, to the best of our knowledge, is the first comprehensive dedicated resource for experimentally verified potential drugs/molecules based on manually curated data. Currently, VDDB highlights 848 clinical vaccines, 199 clinical antibodies, as well as over 710,000 small molecules targeting 39 medically important viruses including SARS-CoV-2. Furthermore, VDDB stores approximately 3 million records of pharmacological data for these collected potential antiviral drugs/molecules, involving 314 cell infection-based phenotypic and 234 target-based genotypic assays. Based on these annotated pharmacological data, VDDB allows users to browse, search and download reliable information about these collects for various viruses of interest. In particular, VDDB also integrates 57 cell infection- and 117 target-based associated high-accuracy machine learning models to support various antivirals identification-related tasks, such as compound activity prediction, virtual screening, drug repositioning and target fishing. VDDB is freely accessible at this http URL

Data-efficient image classification is a challenging task that aims to solve image classification using small training data. Neural network-based deep learning methods are effective for image classification, but they typically require large-scale training data and have major limitations such as requiring expertise to design network architectures and having poor interpretability. Evolutionary deep learning is a recent hot topic that combines evolutionary computation with deep learning. However, most evolutionary deep learning methods focus on evolving architectures of neural networks, which still suffer from limitations such as poor interpretability. To address this, this paper proposes a new genetic programming-based evolutionary deep learning approach to data-efficient image classification. The new approach can automatically evolve variable-length models using many important operators from both image and classification domains. It can learn different types of image features from colour or gray-scale images, and construct effective and diverse ensembles for image classification. A flexible multi-layer representation enables the new approach to automatically construct shallow or deep models/trees for different tasks and perform effective transformations on the input data via multiple internal nodes. The new approach is applied to solve five image classification tasks with different training set sizes. The results show that it achieves better performance in most cases than deep learning methods for data-efficient image classification. A deep analysis shows that the new approach has good convergence and evolves models with high interpretability, different lengths/sizes/shapes, and good transferability.

Assessing breast cancer risk from imaging remains a subjective process, in which radiologists employ simple computer aided detection (CAD) systems or qualitative visual assessment to estimate breast percent density (PD). Machine learning (ML) models have become the most promising way to quantify breast cancer risk for early, accurate, and equitable diagnoses, but training such models in medical research is often restricted to small, single-institution data. Since patient demographics and imaging characteristics may vary considerably across imaging sites, models trained on single-institution data tend not to generalize well. In response to this problem, MammoDL is proposed, an open-source software tool that leverages a U-Net architecture to accurately estimate breast PD and complexity from mammography. With the Open Federated Learning (OpenFL) library, this solution enables secure training on datasets across multiple institutions. MammoDL is a leaner, more flexible model than its predecessors, boasting improved generalization due to federation-enabled training on larger, more representative datasets.

The primary hyperparameter in kernel regression (KR) is the choice of kernel. In most theoretical studies of KR, one assumes the kernel is fixed before seeing the training data. Under this assumption, it is known that the optimal kernel is equal to the prior covariance of the target function. In this note, we consider KR in which the kernel may be updated after seeing the training data. We point out that an analogous choice of kernel using the posterior of the target function is optimal in this setting. Connections to the view of deep neural networks as data-dependent kernel learners are discussed.  ( 2 min )

Speech Entity Linking aims to recognize and disambiguate named entities in spoken languages. Conventional methods suffer gravely from the unfettered speech styles and the noisy transcripts generated by ASR systems. In this paper, we propose a novel approach called Knowledge Enhanced Named Entity Recognition (KENER), which focuses on improving robustness through painlessly incorporating proper knowledge in the entity recognition stage and thus improving the overall performance of entity linking. KENER first retrieves candidate entities for a sentence without mentions, and then utilizes the entity descriptions as extra information to help recognize mentions. The candidate entities retrieved by a dense retrieval module are especially useful when the input is short or noisy. Moreover, we investigate various data sampling strategies and design effective loss functions, in order to improve the quality of retrieved entities in both recognition and disambiguation stages. Lastly, a linking with filtering module is applied as the final safeguard, making it possible to filter out wrongly-recognized mentions. Our system achieves 1st place in Track 1 and 2nd place in Track 2 of NLPCC-2022 Shared Task 2.

The practice of applying several local updates before aggregation across clients has been empirically shown to be a successful approach to overcoming the communication bottleneck in Federated Learning (FL). Such methods are usually implemented by having clients perform one or more epochs of local training per round while randomly reshuffling their finite dataset in each epoch. Data imbalance, where clients have different numbers of local training samples, is ubiquitous in FL applications, resulting in different clients performing different numbers of local updates in each round. In this work, we propose a general recipe, FedShuffle, that better utilizes the local updates in FL, especially in this regime encompassing random reshuffling and heterogeneity. FedShuffle is the first local update method with theoretical convergence guarantees that incorporates random reshuffling, data imbalance, and client sampling - features that are essential in large-scale cross-device FL. We present a comprehensive theoretical analysis of FedShuffle and show, both theoretically and empirically, that it does not suffer from the objective function mismatch that is present in FL methods that assume homogeneous updates in heterogeneous FL setups, such as FedAvg (McMahan et al., 2017). In addition, by combining the ingredients above, FedShuffle improves upon FedNova (Wang et al., 2020), which was previously proposed to solve this mismatch. Similar to Mime (Karimireddy et al., 2020), we show that FedShuffle with momentum variance reduction (Cutkosky & Orabona, 2019) improves upon non-local methods under a Hessian similarity assumption.

Computational analysis methods including machine learning have a significant impact in the fields of genomics and medicine. High-throughput gene expression analysis methods such as microarray technology and RNA sequencing produce enormous amounts of data. Traditionally, statistical methods are used for comparative analysis of gene expression data. However, more complex analysis for classification of sample observations, or discovery of feature genes requires sophisticated computational approaches. In this review, we compile various statistical and computational tools used in analysis of expression microarray data. Even though the methods are discussed in the context of expression microarrays, they can also be applied for the analysis of RNA sequencing and quantitative proteomics datasets. We discuss the types of missing values, and the methods and approaches usually employed in their imputation. We also discuss methods of data normalization, feature selection, and feature extraction. Lastly, methods of classification and class discovery along with their evaluation parameters are described in detail. We believe that this detailed review will help the users to select appropriate methods for preprocessing and analysis of their data based on the expected outcome.

Speed-control forecasting, a challenging problem in driver behavior analysis, aims to predict the future actions of a driver in controlling vehicle speed such as braking or acceleration. In this paper, we try to address this challenge solely using egocentric video data, in contrast to the majority of works in the literature using either third-person view data or extra vehicle sensor data such as GPS, or both. To this end, we propose a novel graph convolutional network (GCN) based network, namely, EgoSpeed-Net. We are motivated by the fact that the position changes of objects over time can provide us very useful clues for forecasting the speed change in future. We first model the spatial relations among the objects from each class, frame by frame, using fully-connected graphs, on top of which GCNs are applied for feature extraction. Then we utilize a long short-term memory network to fuse such features per class over time into a vector, concatenate such vectors and forecast a speed-control action using a multilayer perceptron classifier. We conduct extensive experiments on the Honda Research Institute Driving Dataset and demonstrate the superior performance of EgoSpeed-Net.

Retrosynthesis is a major task for drug discovery. It is formulated as a graph-generating problem by many existing approaches. Specifically, these methods firstly identify the reaction center, and break target molecule accordingly to generate synthons. Reactants are generated by either adding atoms sequentially to synthon graphs or directly adding proper leaving groups. However, both two strategies suffer since adding atoms results in a long prediction sequence which increases generation difficulty, while adding leaving groups can only consider the ones in the training set which results in poor generalization. In this paper, we propose a novel end-to-end graph generation model for retrosynthesis prediction, which sequentially identifies the reaction center, generates the synthons, and adds motifs to the synthons to generate reactants. Since chemically meaningful motifs are bigger than atoms and smaller than leaving groups, our method enjoys lower prediction complexity than adding atoms and better generalization than adding leaving groups. Experiments on a benchmark dataset show that the proposed model significantly outperforms previous state-of-the-art algorithms.

In traditional recommender system literature, diversity is often seen as the opposite of similarity, and typically defined as the distance between identified topics, categories or word models. However, this is not expressive of the social science's interpretation of diversity, which accounts for a news organization's norms and values and which we here refer to as normative diversity. We introduce RADio, a versatile metrics framework to evaluate recommendations according to these normative goals. RADio introduces a rank-aware Jensen Shannon (JS) divergence. This combination accounts for (i) a user's decreasing propensity to observe items further down a list and (ii) full distributional shifts as opposed to point estimates. We evaluate RADio's ability to reflect five normative concepts in news recommendations on the Microsoft News Dataset and six (neural) recommendation algorithms, with the help of our metadata enrichment pipeline. We find that RADio provides insightful estimates that can potentially be used to inform news recommender system design.

The Inverse Reinforcement Learning (\textit{IRL}) problem has seen rapid evolution in the past few years, with important applications in domains like robotics, cognition, and health. In this work, we explore the inefficacy of current IRL methods in learning an agent's reward function from expert trajectories depicting long-horizon, complex sequential tasks. We hypothesize that imbuing IRL models with structural motifs capturing underlying tasks can enable and enhance their performance. Subsequently, we propose a novel IRL method, SMIRL, that first learns the (approximate) structure of a task as a finite-state-automaton (FSA), then uses the structural motif to solve the IRL problem. We test our model on both discrete grid world and high-dimensional continuous domain environments. We empirically show that our proposed approach successfully learns all four complex tasks, where two foundational IRL baselines fail. Our model also outperforms the baselines in sample efficiency on a simpler toy task. We further show promising test results in a modified continuous domain on tasks with compositional reward functions.

The problem of learning parallel computer performance is investigated in the context of multicore processors. Given a fixed workload, the effect of varying system configuration on performance is sought. Conventionally, the performance speedup due to a single resource enhancement is formulated using Amdahl's law. However, in case of multiple configurable resources the conventional formulation results in several disconnected speedup equations that cannot be combined together to determine the overall speedup. To solve this problem, we propose to (1) extend Amdahl's law to accommodate multiple configurable resources into the overall speedup equation, and (2) transform the speedup equation into a multivariable regression problem suitable for machine learning. Using experimental data from fifty-eight tests spanning two benchmarks (SPECCPU 2017 and PCMark 10) and four hardware platforms (Intel Xeon 8180M, AMD EPYC 7702P, Intel CoffeeLake 8700K, and AMD Ryzen 3900X), analytical models are developed and cross-validated. Findings indicate that in most cases, the models result in an average cross-validated accuracy higher than 95%, thereby validating the proposed extension of Amdahl's law. The proposed methodology enables rapid generation of multivariable analytical models to support future industrial development, optimization, and simulation needs.

Equatorial Plasma Bubbles (EPBs) are plumes of low density plasma that rise up from the bottomside of the F layer towards the exosphere. EPBs are known causes of radio wave scintillations which can degrade communications with spacecraft. We build a random forest regressor to predict and forecast the probability of an EPB [0-1] detected by the IBI processor on-board the SWARM spacecraft. We use 8-years of Swarm data from 2014 to 2021 and transform the data from a time series into a 5 dimensional space consisting of latitude, longitude, mlt, year, and day-of-the-year. We also add Kp, F10.7cm and solar wind speed. The observations of EPBs with respect to geolocation, local time, season and solar activity mostly agrees with existing work, whilst the link geomagnetic activity is less clear. The prediction has an accuracy of 88% and performs well across the EPB specific spatiotemporal scales. This proves that the XGBoost method is able to successfully capture the climatological and daily variability of SWARM EPBs. Capturing the daily variance has long evaded researchers because of local and stochastic features within the ionosphere. We take advantage of Shapley Values to explain the model and to gain insight into the physics of EPBs. We find that as the solar wind speed increases the probability of an EPB decreases. We also identify a spike in EPB probability around the Earth-Sun perihelion. Both of these insights were derived directly from the XGBoost and Shapley technique.

As antibiotic-resistant bacterial strains are rapidly spreading worldwide, infections caused by these strains are emerging as a global crisis causing the death of millions of people every year. Antimicrobial Peptides (AMPs) are one of the candidates to tackle this problem because of their potential diversity, and ability to favorably modulate the host immune response. However, large-scale screening of new AMP candidates is expensive, time-consuming, and now affordable in developing countries, which need the treatments the most. In this work, we propose a novel active machine learning-based framework that statistically minimizes the number of wet-lab experiments needed to design new AMPs, while ensuring a high diversity and novelty of generated AMPs sequences, in multi-rounds of wet-lab AMP screening settings. Combining recurrent neural network models and a graph-based filter (GraphCC), our proposed approach delivers novel and diverse candidates and demonstrates better performances according to our defined metrics.

We study Hessian estimators for functions defined over an $n$-dimensional complete analytic Riemannian manifold. We introduce new stochastic zeroth-order Hessian estimators using $O (1)$ function evaluations. We show that, for an analytic real-valued function $f$, our estimator achieves a bias bound of order $ O \left( \gamma \delta^2 \right) $, where $ \gamma $ depends on both the Levi-Civita connection and function $f$, and $\delta$ is the finite difference step size. To the best of our knowledge, our results provide the first bias bound for Hessian estimators that explicitly depends on the geometry of the underlying Riemannian manifold. We also study downstream computations based on our Hessian estimators. The supremacy of our method is evidenced by empirical evaluations.

Commonly in reinforcement learning (RL), rewards are discounted over time using an exponential function to model time preference, thereby bounding the expected long-term reward. In contrast, in economics and psychology, it has been shown that humans often adopt a hyperbolic discounting scheme, which is optimal when a specific task termination time distribution is assumed. In this work, we propose a theory for continuous-time model-based reinforcement learning generalized to arbitrary discount functions. This formulation covers the case in which there is a non-exponential random termination time. We derive a Hamilton-Jacobi-Bellman (HJB) equation characterizing the optimal policy and describe how it can be solved using a collocation method, which uses deep learning for function approximation. Further, we show how the inverse RL problem can be approached, in which one tries to recover properties of the discount function given decision data. We validate the applicability of our proposed approach on two simulated problems. Our approach opens the way for the analysis of human discounting in sequential decision-making tasks.

Blind source separation (BSS) algorithms are unsupervised methods, which are the cornerstone of hyperspectral data analysis by allowing for physically meaningful data decompositions. BSS problems being ill-posed, the resolution requires efficient regularization schemes to better distinguish between the sources and yield interpretable solutions. For that purpose, we investigate a semi-supervised source separation approach in which we combine a projected alternating least-square algorithm with a learning-based regularization scheme. In this article, we focus on constraining the mixing matrix to belong to a learned manifold by making use of generative models. Altogether, we show that this allows for an innovative BSS algorithm, with improved accuracy, which provides physically interpretable solutions. The proposed method, coined sGMCA, is tested on realistic hyperspectral astrophysical data in challenging scenarios involving strong noise, highly correlated spectra and unbalanced sources. The results highlight the significant benefit of the learned prior to reduce the leakages between the sources, which allows an overall better disentanglement.

Deep generative models for graph-structured data offer a new angle on the problem of chemical synthesis: by optimizing differentiable models that directly generate molecular graphs, it is possible to side-step expensive search procedures in the discrete and vast space of chemical structures. We introduce MolGAN, an implicit, likelihood-free generative model for small molecular graphs that circumvents the need for expensive graph matching procedures or node ordering heuristics of previous likelihood-based methods. Our method adapts generative adversarial networks (GANs) to operate directly on graph-structured data. We combine our approach with a reinforcement learning objective to encourage the generation of molecules with specific desired chemical properties. In experiments on the QM9 chemical database, we demonstrate that our model is capable of generating close to 100% valid compounds. MolGAN compares favorably both to recent proposals that use string-based (SMILES) representations of molecules and to a likelihood-based method that directly generates graphs, albeit being susceptible to mode collapse. Code at https://github.com/nicola-decao/MolGAN

Functional connectivity (FC) between regions of the brain is commonly estimated through statistical dependency measures applied to functional magnetic resonance imaging (fMRI) data. The resulting functional connectivity matrix (FCM) is often taken to represent the adjacency matrix of a brain graph. Recently, graph neural networks (GNNs) have been successfully applied to FCMs to learn brain graph representations. A common limitation of existing GNN approaches, however, is that they require the graph adjacency matrix to be known prior to model training. As such, it is implicitly assumed the ground-truth dependency structure of the data is known. Unfortunately, for fMRI this is not the case as the choice of which statistical measure best represents the dependency structure of the data is non-trivial. Also, most GNN applications to fMRI assume FC is static over time, which is at odds with neuroscientific evidence that functional brain networks are time-varying and dynamic. These compounded issues can have a detrimental effect on the capacity of GNNs to learn representations of brain graphs. As a solution, we propose Dynamic Brain Graph Structure Learning (DBGSL), a supervised method for learning the optimal time-varying dependency structure of fMRI data. Specifically, DBGSL learns a dynamic graph from fMRI timeseries via spatial-temporal attention applied to brain region embeddings. The resulting graph is then fed to a spatial-temporal GNN to learn a graph representation for classification. Experiments on large resting-state as well as task fMRI datasets for the task of gender classification demonstrate that DBGSL achieves state-of-the-art performance. Moreover, analysis of the learnt dynamic graphs highlights prediction-related brain regions which align with findings from existing neuroscience literature.

We rigorously prove that deep Gaussian process priors can outperform Gaussian process priors if the target function has a compositional structure. To this end, we study information-theoretic lower bounds for posterior contraction rates for Gaussian process regression in a continuous regression model. We show that if the true function is a generalized additive function, then the posterior based on any mean-zero Gaussian process can only recover the truth at a rate that is strictly slower than the minimax rate by a factor that is polynomially suboptimal in the sample size $n$.

IoT devices are increasingly being implemented with neural network models to enable smart applications. Energy harvesting (EH) technology that harvests energy from ambient environment is a promising alternative to batteries for powering those devices due to the low maintenance cost and wide availability of the energy sources. However, the power provided by the energy harvester is low and has an intrinsic drawback of instability since it varies with the ambient environment. This paper proposes EVE, an automated machine learning (autoML) co-exploration framework to search for desired multi-models with shared weights for energy harvesting IoT devices. Those shared models incur significantly reduced memory footprint with different levels of model sparsity, latency, and accuracy to adapt to the environmental changes. An efficient on-device implementation architecture is further developed to efficiently execute each model on device. A run-time model extraction algorithm is proposed that retrieves individual model with negligible overhead when a specific model mode is triggered.Experimental results show that the neural networks models generated by EVE is on average 2.5X times faster than the baseline models without pruning and shared weights.

In this paper we consider the problem learning of variational models in the context of supervised learning via risk minimization. Our goal is to provide a deeper understanding of the two approaches of learning of variational models via bilevel optimization and via algorithm unrolling. The former considers the variational model as a lower level optimization problem below the risk minimization problem, while the latter replaces the lower level optimization problem by an algorithm that solves said problem approximately. Both approaches are used in practice, but, unrolling is much simpler from a computational point of view. To analyze and compare the two approaches, we consider a simple toy model, and compute all risks and the respective estimators explicitly. We show that unrolling can be better than the bilevel optimization approach, but also that the performance of unrolling can depend significantly on further parameters, sometimes in unexpected ways: While the stepsize of the unrolled algorithm matters a lot, the number of unrolled iterations only matters if the number is even or odd, and these two cases are notably different.

We develop a novel framework that adds the regularizers of the sparse group lasso to a family of adaptive optimizers in deep learning, such as Momentum, Adagrad, Adam, AMSGrad, AdaHessian, and create a new class of optimizers, which are named Group Momentum, Group Adagrad, Group Adam, Group AMSGrad and Group AdaHessian, etc., accordingly. We establish theoretically proven convergence guarantees in the stochastic convex settings, based on primal-dual methods. We evaluate the regularized effect of our new optimizers on three large-scale real-world ad click datasets with state-of-the-art deep learning models. The experimental results reveal that compared with the original optimizers with the post-processing procedure which uses the magnitude pruning method, the performance of the models can be significantly improved on the same sparsity level. Furthermore, in comparison to the cases without magnitude pruning, our methods can achieve extremely high sparsity with significantly better or highly competitive performance.

Graph Neural Networks (GNNs) have been shown to achieve competitive results to tackle graph-related tasks, such as node and graph classification, link prediction and node and graph clustering in a variety of domains. Most GNNs use a message passing framework and hence are called MPNNs. Despite their promising results, MPNNs have been reported to suffer from over-smoothing, over-squashing and under-reaching. Graph rewiring and graph pooling have been proposed in the literature as solutions to address these limitations. However, most state-of-the-art graph rewiring methods fail to preserve the global topology of the graph, are neither differentiable nor inductive, and require the tuning of hyper-parameters. In this paper, we propose DiffWire, a novel framework for graph rewiring in MPNNs that is principled, fully differentiable and parameter-free by leveraging the Lov\'asz bound. Our approach provides a unified theory for graph rewiring by proposing two new, complementary layers in MPNNs: CT-Layer, a layer that learns the commute times and uses them as a relevance function for edge re-weighting; and GAP-Layer, a layer to optimize the spectral gap, depending on the nature of the network and the task at hand. We empirically validate the value of each of these layers separately with benchmark datasets for graph classification. DiffWire brings together the learnability of commute times to related definitions of curvature, opening the door to creating more expressive MPNNs.

In this paper, we propose an algorithm to interpolate between a pair of images of a dynamic scene. While in the past years significant progress in frame interpolation has been made, current approaches are not able to handle images with brightness and illumination changes, which are common even when the images are captured shortly apart. We propose to address this problem by taking advantage of the existing optical flow methods that are highly robust to the variations in the illumination. Specifically, using the bidirectional flows estimated using an existing pre-trained flow network, we predict the flows from an intermediate frame to the two input images. To do this, we propose to encode the bidirectional flows into a coordinate-based network, powered by a hypernetwork, to obtain a continuous representation of the flow across time. Once we obtain the estimated flows, we use them within an existing blending network to obtain the final intermediate frame. Through extensive experiments, we demonstrate that our approach is able to produce significantly better results than state-of-the-art frame interpolation algorithms.

In the application of deep learning on optical coherence tomography (OCT) data, it is common to train classification networks using 2D images originating from volumetric data. Given the micrometer resolution of OCT systems, consecutive images are often very similar in both visible structures and noise. Thus, an inappropriate data split can result in overlap between the training and testing sets, with a large portion of the literature overlooking this aspect. In this study, the effect of improper dataset splitting on model evaluation is demonstrated for three classification tasks using three OCT open-access datasets extensively used, Kermany's and Srinivasan's ophthalmology datasets, and AIIMS breast tissue dataset. Results show that the classification performance is inflated by 0.07 up to 0.43 in terms of Matthews Correlation Coefficient (accuracy: 5% to 30%) for models tested on datasets with improper splitting, highlighting the considerable effect of dataset handling on model evaluation. This study intends to raise awareness on the importance of dataset splitting given the increased research interest in implementing deep learning on OCT data.

In recent years, multi-task learning has turned out to be of great success in various applications. Though single model training has promised great results throughout these years, it ignores valuable information that might help us estimate a metric better. Under learning-related tasks, multi-task learning has been able to generalize the models even better. We try to enhance the feature mapping of the multi-tasking models by sharing features among related tasks and inductive transfer learning. Also, our interest is in learning the task relationships among various tasks for acquiring better benefits from multi-task learning. In this chapter, our objective is to visualize the existing multi-tasking models, compare their performances, the methods used to evaluate the performance of the multi-tasking models, discuss the problems faced during the design and implementation of these models in various domains, and the advantages and milestones achieved by them

Graph Neural Networks (GNNs) have achieved great success on a node classification task. Despite the broad interest in developing and evaluating GNNs, they have been assessed with limited benchmark datasets. As a result, the existing evaluation of GNNs lacks fine-grained analysis from various characteristics of graphs. Motivated by this, we conduct extensive experiments with a synthetic graph generator that can generate graphs having controlled characteristics for fine-grained analysis. Our empirical studies clarify the strengths and weaknesses of GNNs from four major characteristics of real-world graphs with class labels of nodes, i.e., 1) class size distributions (balanced vs. imbalanced), 2) edge connection proportions between classes (homophilic vs. heterophilic), 3) attribute values (biased vs. random), and 4) graph sizes (small vs. large). In addition, to foster future research on GNNs, we publicly release our codebase that allows users to evaluate various GNNs with various graphs. We hope this work offers interesting insights for future research.

In this paper, we propose a two-stage optimization strategy for solving the Large-scale Traveling Salesman Problems (LSTSPs) named CCPNRL-GA. First, we hypothesize that the participation of a well-performed individual as an elite can accelerate the convergence of optimization. Based on this hypothesis, in the first stage, we cluster the cities and decompose the LSTSPs into multiple subcomponents, and each subcomponent is optimized with a reusable Pointer Network (PtrNet). After subcomponents optimization, we combine all sub-tours to form a valid solution, this solution joins the second stage of optimization with GA. We validate the performance of our proposal on 10 LSTSPs and compare it with traditional EAs. Experimental results show that the participation of an elite individual can greatly accelerate the optimization of LSTSPs, and our proposal has broad prospects for dealing with LSTSPs.

Quantum Machine Learning (QML) models are aimed at learning from data encoded in quantum states. Recently, it has been shown that models with little to no inductive biases (i.e., with no assumptions about the problem embedded in the model) are likely to have trainability and generalization issues, especially for large problem sizes. As such, it is fundamental to develop schemes that encode as much information as available about the problem at hand. In this work we present a simple, yet powerful, framework where the underlying invariances in the data are used to build QML models that, by construction, respect those symmetries. These so-called group-invariant models produce outputs that remain invariant under the action of any element of the symmetry group $\mathfrak{G}$ associated to the dataset. We present theoretical results underpinning the design of $\mathfrak{G}$-invariant models, and exemplify their application through several paradigmatic QML classification tasks including cases when $\mathfrak{G}$ is a continuous Lie group and also when it is a discrete symmetry group. Notably, our framework allows us to recover, in an elegant way, several well known algorithms for the literature, as well as to discover new ones. Taken together, we expect that our results will help pave the way towards a more geometric and group-theoretic approach to QML model design.

We present a derivation of the gradients of feedforward neural networks using Fr\'echet calculus which is arguably more compact than the ones usually presented in the literature. We first derive the gradients for ordinary neural networks working on vectorial data and show how these derived formulas can be used to derive a simple and efficient algorithm for calculating a neural networks gradients. Subsequently we show how our analysis generalizes to more general neural network architectures including, but not limited to, convolutional networks.

In recent years, with the large-scale deployment of space spacecraft entities and the increase of satellite onboard capabilities, delay/disruption tolerant network (DTN) emerged as a more robust communication protocol than TCP/IP in the case of excessive network dynamics. DTN node buffer management is still an active area of research, as the current implementation of the DTN core protocol still relies on the assumption that there is always enough memory available in different network nodes to store and forward bundles. In addition, the classical queuing theory does not apply to the dynamic management of DTN node buffers. Therefore, this paper proposes a centralized approach to automatically manage cognitive DTN nodes in low earth orbit (LEO) satellite constellation scenarios based on the advanced reinforcement learning (RL) strategy advantage actor-critic (A2C). The method aims to explore training a geosynchronous earth orbit intelligent agent to manage all DTN nodes in an LEO satellite constellation scenario. The goal of the A2C agent is to maximize delivery success rate and minimize network resource consumption cost while considering node memory utilization. The intelligent agent can dynamically adjust the radio data rate and perform drop operations based on bundle priority. In order to measure the effectiveness of applying A2C technology to DTN node management issues in LEO satellite constellation scenarios, this paper compares the trained intelligent agent strategy with the other two non-RL policies, including random and standard policies. Experiments show that the A2C strategy balances delivery success rate and cost, and provides the highest reward and the lowest node memory utilization.

This paper aims to interpret the mechanism of feedforward ReLU networks by exploring their solutions for piecewise linear functions, through the deduction from basic rules. The constructed solution should be universal enough to explain some network architectures of engineering; in order for that, several ways are provided to enhance the solution universality. Some of the consequences of our theories include: Under affine-geometry background, the solutions of both three-layer networks and deep-layer networks are given, particularly for those architectures applied in practice, such as multilayer feedforward neural networks and decoders; We give clear and intuitive interpretations of each component of network architectures; The parameter-sharing mechanism for multi-outputs is investigated; We provide an explanation of overparameterization solutions in terms of affine transforms; Under our framework, an advantage of deep layers compared to shallower ones is natural to be obtained. Some intermediate results are the basic knowledge for the modeling or understanding of neural networks, such as the classification of data embedded in a higher-dimensional space, the generalization of affine transforms, the probabilistic model of matrix ranks, and the concepts of distinguishable data sets as well as interference among hyperplanes.

In this paper, we are interested in the acceleration of numerical simulations. We focus on a hypersonic planetary reentry problem whose simulation involves coupling fluid dynamics and chemical reactions. Simulating chemical reactions takes most of the computational time but, on the other hand, cannot be avoided to obtain accurate predictions. We face a trade-off between cost-efficiency and accuracy: the simulation code has to be sufficiently efficient to be used in an operational context but accurate enough to predict the phenomenon faithfully. To tackle this trade-off, we design a hybrid simulation code coupling a traditional fluid dynamic solver with a neural network approximating the chemical reactions. We rely on their power in terms of accuracy and dimension reduction when applied in a big data context and on their efficiency stemming from their matrix-vector structure to achieve important acceleration factors ($\times 10$ to $\times 18.6$). This paper aims to explain how we design such cost-effective hybrid simulation codes in practice. Above all, we describe methodologies to ensure accuracy guarantees, allowing us to go beyond traditional surrogate modeling and to use these codes as references.

In edge computing, suppressing data size is a challenge for machine learning models that perform complex tasks such as autonomous driving, in which computational resources (speed, memory size and power) are limited. Efficient lossy compression of matrix data has been introduced by decomposing it into the product of an integer and real matrices. However, its optimisation is difficult as it requires simultaneous optimisation of an integer and real variables. In this paper, we improve this optimisation by utilising recently developed black-box optimisation (BBO) algorithms with an Ising solver for integer variables. In addition, the algorithm can be used to solve mixed-integer programming problems that are linear and non-linear in terms of real and integer variables, respectively. The differences between the choice of Ising solvers (simulated annealing, quantum annealing and simulated quenching) and the strategies of the BBO algorithms (BOCS, FMQA and their variations) are discussed for further development of the BBO techniques.

In this paper we present a class of convolutional neural networks (CNNs) called non-overlapping CNNs in the study of approximation capabilities of CNNs. We prove that such networks with sigmoidal activation function are capable of approximating arbitrary continuous function defined on compact input sets with any desired degree of accuracy. This result extends existing results where only multilayer feedforward networks are a class of approximators. Evaluations elucidate the accuracy and efficiency of our result and indicate that the proposed non-overlapping CNNs are less sensitive to noise.

For strongly convex objectives that are smooth, the classical theory of gradient descent ensures linear convergence relative to the number of gradient evaluations. An analogous nonsmooth theory is challenging. Even when the objective is smooth at every iterate, the corresponding local models are unstable and the number of cutting planes invoked by traditional remedies is difficult to bound, leading to convergences guarantees that are sublinear relative to the cumulative number of gradient evaluations. We instead propose a multipoint generalization of the gradient descent iteration for local optimization. While designed with general objectives in mind, we are motivated by a ``max-of-smooth'' model that captures the subdifferential dimension at optimality. We prove linear convergence when the objective is itself max-of-smooth, and experiments suggest a more general phenomenon.

In this study, the four joint time-frequency (TF) moments; mean, variance, skewness, and kurtosis of TF matrix obtained from Multivariate Synchrosqueezing Transform (MSST) are proposed as features for hand gesture recognition. A publicly available dataset containing surface EMG (sEMG) signals of 40 subjects performing 10 hand gestures, was used. The distinguishing power of the feature variables for the tested gestures was evaluated according to their p values obtained from the Kruskal-Wallis (KW) test. It is concluded that the mean, variance, skewness, and kurtosis of TF matrices can be candidate feature sets for the recognition of hand gestures.

Pre-training vision-language models with contrastive objectives has shown promising results that are both scalable to large uncurated datasets and transferable to many downstream applications. Some following works have targeted to improve data efficiency by adding self-supervision terms, but inter-domain (image-text) contrastive loss and intra-domain (image-image) contrastive loss are defined on individual spaces in those works, so many feasible combinations of supervision are overlooked. To overcome this issue, we propose UniCLIP, a Unified framework for Contrastive Language-Image Pre-training. UniCLIP integrates the contrastive loss of both inter-domain pairs and intra-domain pairs into a single universal space. The discrepancies that occur when integrating contrastive loss between different domains are resolved by the three key components of UniCLIP: (1) augmentation-aware feature embedding, (2) MP-NCE loss, and (3) domain dependent similarity measure. UniCLIP outperforms previous vision-language pre-training methods on various single- and multi-modality downstream tasks. In our experiments, we show that each component that comprises UniCLIP contributes well to the final performance.

The application of Deep Neural Networks (DNNs) to a broad variety of tasks demands methods for coping with the complex and opaque nature of these architectures. When a gold standard is available, performance assessment treats the DNN as a black box and computes standard metrics based on the comparison of the predictions with the ground truth. A deeper understanding of performances requires going beyond such evaluation metrics to diagnose the model behavior and the prediction errors. This goal can be pursued in two complementary ways. On one side, model interpretation techniques "open the box" and assess the relationship between the input, the inner layers and the output, so as to identify the architecture modules most likely to cause the performance loss. On the other hand, black-box error diagnosis techniques study the correlation between the model response and some properties of the input not used for training, so as to identify the features of the inputs that make the model fail. Both approaches give hints on how to improve the architecture and/or the training process. This paper focuses on the application of DNNs to Computer Vision (CV) tasks and presents a survey of the tools that support the black-box performance diagnosis paradigm. It illustrates the features and gaps of the current proposals, discusses the relevant research directions and provides a brief overview of the diagnosis tools in sectors other than CV.

A deep learning model is presented to nowcast the occurrence of lightning at a five-minute time resolution 60 minutes into the future. The model is based on a recurrent-convolutional architecture that allows it to recognize and predict the spatiotemporal development of convection, including the motion, growth and decay of thunderstorm cells. The predictions are performed on a stationary grid, without the use of storm object detection and tracking. The input data, collected from an area in and surrounding Switzerland, comprise ground-based radar data, visible/infrared satellite data and derived cloud products, lightning detection, numerical weather prediction and digital elevation model data. We analyze different alternative loss functions, class weighting strategies and model features, providing guidelines for future studies to select loss functions optimally and to properly calibrate the probabilistic predictions of their model. Based on these analyses, we use focal loss in this study, but conclude that it only provides a small benefit over cross entropy, which is a viable option if recalibration of the model is not practical. The model achieves a pixel-wise critical success index (CSI) of 0.45 to predict lightning occurrence within 8 km over the 60-min nowcast period, ranging from a CSI of 0.75 at a 5-min lead time to a CSI of 0.32 at a 60-min lead time.

Graph clustering is the process of grouping vertices into densely connected sets called clusters. We tailor two mathematical programming formulations from the literature, to this problem. In doing so, we obtain a heuristic approximation to the intra-cluster density maximization problem. We use two variations of a Boltzmann machine heuristic to obtain numerical solutions. For benchmarking purposes, we compare solution quality and computational performances to those obtained using a commercial solver, Gurobi. We also compare clustering quality to the clusters obtained using the popular Louvain modularity maximization method. Our initial results clearly demonstrate the superiority of our problem formulations. They also establish the superiority of the Boltzmann machine over the traditional exact solver. In the case of smaller less complex graphs, Boltzmann machines provide the same solutions as Gurobi, but with solution times that are orders of magnitude lower. In the case of larger and more complex graphs, Gurobi fails to return meaningful results within a reasonable time frame. Finally, we also note that both our clustering formulations, the distance minimization and $K$-medoids, yield clusters of superior quality to those obtained with the Louvain algorithm.

Traffic flow prediction as an essential part of the intelligent transportation system has received critical attention from researchers. However, the complex spatial and temporal dependencies between traffic roads make traffic flow prediction challenging. Existing methods are usually based on graph neural networks using predefined spatial adjacency graphs of traffic networks to model spatial dependencies, ignoring the dynamic correlation of relationships between road nodes. In addition, they usually use independent Spatio-temporal components to capture Spatio-temporal dependencies and do not effectively model global Spatio-temporal dependencies. This paper proposes a new Spatio-temporal Causal Graph Attention Network (STCGAT) for traffic prediction to address the above challenges. In STCGAT, we use a node embedding approach that can adaptively generate spatial adjacency subgraphs at each time step without a priori geographic knowledge and fine-grained modeling of the topology of dynamically generated graphs for different time steps. Meanwhile, we propose an efficient causal temporal correlation component that contains node adaptive learning, graph convolution, and local and global causal temporal convolution modules to learn local and global Spatio-temporal dependencies jointly. Extensive experiments on four real, large traffic datasets show that our model consistently outperforms all baseline models.

Learning causal structure from observational data is a fundamental challenge in machine learning. However, the majority of commonly used differentiable causal discovery methods are non-identifiable, turning this problem into a continuous optimization task prone to data biases. In many real-life situations, data is collected from different environments, in which the functional relations remain consistent across environments, while the distribution of additive noises may vary. This paper proposes Differentiable Invariant Causal Discovery (DICD), utilizing the multi-environment information based on a differentiable framework to avoid learning spurious edges and wrong causal directions. Specifically, DICD aims to discover the environment-invariant causation while removing the environment-dependent correlation. We further formulate the constraint that enforces the target structure equation model to maintain optimal across the environments. Theoretical guarantees for the identifiability of proposed DICD are provided under mild conditions with enough environments. Extensive experiments on synthetic and real-world datasets verify that DICD outperforms state-of-the-art causal discovery methods up to 36% in SHD. Our code will be open-sourced.

Annealed Importance Sampling (AIS) is a popular algorithm used to estimates the intractable marginal likelihood of deep generative models. Although AIS is guaranteed to provide unbiased estimate for any set of hyperparameters, the common implementations rely on simple heuristics such as the geometric average bridging distributions between initial and the target distribution which affect the estimation performance when the computation budget is limited. Optimization of fully parametric AIS remains challenging due to the use of Metropolis-Hasting (MH) correction steps in Markov transitions. We present a parameteric AIS process with flexible intermediary distributions and optimize the bridging distributions to use fewer number of steps for sampling. A reparameterization method that allows us to optimize the distribution sequence and the parameters of Markov transitions is used which is applicable to a large class of Markov Kernels with MH correction. We assess the performance of our optimized AIS for marginal likelihood estimation of deep generative models and compare it to other estimators.

We demonstrate the applicability of model-agnostic algorithms for meta-learning, specifically Reptile, to GNN models in molecular regression tasks. Using meta-learning we are able to learn new chemical prediction tasks with only a few model updates, as compared to using randomly initialized GNNs which require learning each regression task from scratch. We experimentally show that GNN layer expressivity is correlated to improved meta-learning. Additionally, we also experiment with GNN emsembles which yield best performance and rapid convergence for k-shot learning.

Graph Attention Networks (GATs) have been intensively studied and widely used in graph data learning tasks. Existing GATs generally adopt the self-attention mechanism to conduct graph edge attention learning, requiring expensive computation. It is known that Spiking Neural Networks (SNNs) can perform inexpensive computation by transmitting the input signal data into discrete spike trains and can also return sparse outputs. Inspired by the merits of SNNs, in this work, we propose a novel Graph Spiking Attention Network (GSAT) for graph data representation and learning. In contrast to self-attention mechanism in existing GATs, the proposed GSAT adopts a SNN module architecture which is obvious energy-efficient. Moreover, GSAT can return sparse attention coefficients in natural and thus can perform feature aggregation on the selective neighbors which makes GSAT perform robustly w.r.t graph edge noises. Experimental results on several datasets demonstrate the effectiveness, energy efficiency and robustness of the proposed GSAT model.

Setting the transmit power setting of 5G cells has been a long-term topic of discussion, as optimized power settings can help reduce interference and improve the quality of service to users. Recently, machine learning (ML)-based, especially reinforcement learning (RL)-based control methods have received much attention. However, there is little discussion about the generalisation ability of the trained RL models. This paper points out that an RL agent trained in a specific indoor environment is room-dependent, and cannot directly serve new heterogeneous environments. Therefore, in the context of Open Radio Access Network (O-RAN), this paper proposes a distributed cell power-control scheme based on Federated Reinforcement Learning (FRL). Models in different indoor environments are aggregated to the global model during the training process, and then the central server broadcasts the updated model back to each client. The model will also be used as the base model for adaptive training in the new environment. The simulation results show that the FRL model has similar performance to a single RL agent, and both are better than the random power allocation method and exhaustive search method. The results of the generalisation test show that using the FRL model as the base model improves the convergence speed of the model in the new environment.

Training deep neural networks in low rank, i.e. with factorised layers, is of particular interest to the community: it offers efficiency over unfactorised training in terms of both memory consumption and training time. Prior work has focused on low rank approximations of pre-trained networks and training in low rank space with additional objectives, offering various ad hoc explanations for chosen practice. We analyse techniques that work well in practice, and through extensive ablations on models such as GPT2 we provide evidence falsifying common beliefs in the field, hinting in the process at exciting research opportunities that still need answering.

Pruning on neural networks before training not only compresses the original models, but also accelerates the network training phase, which has substantial application value. The current work focuses on fine-grained pruning, which uses metrics to calculate weight scores for weight screening, and extends from the initial single-order pruning to iterative pruning. Through these works, we argue that network pruning can be summarized as an expressive force transfer process of weights, where the reserved weights will take on the expressive force from the removed ones for the purpose of maintaining the performance of original networks. In order to achieve optimal expressive force scheduling, we propose a pruning scheme before training called Neural Network Panning which guides expressive force transfer through multi-index and multi-process steps, and designs a kind of panning agent based on reinforcement learning to automate processes. Experimental results show that Panning performs better than various available pruning before training methods.

The connectional brain template (CBT) captures the shared traits across all individuals of a given population of brain connectomes, thereby acting as a fingerprint. Estimating a CBT from a population where brain graphs are derived from diverse neuroimaging modalities (e.g., functional and structural) and at different resolutions (i.e., number of nodes) remains a formidable challenge to solve. Such network integration task allows for learning a rich and universal representation of the brain connectivity across varying modalities and resolutions. The resulting CBT can be substantially used to generate entirely new multimodal brain connectomes, which can boost the learning of the downs-stream tasks such as brain state classification. Here, we propose the Multimodal Multiresolution Brain Graph Integrator Network (i.e., M2GraphIntegrator), the first multimodal multiresolution graph integration framework that maps a given connectomic population into a well centered CBT. M2GraphIntegrator first unifies brain graph resolutions by utilizing resolution-specific graph autoencoders. Next, it integrates the resulting fixed-size brain graphs into a universal CBT lying at the center of its population. To preserve the population diversity, we further design a novel clustering-based training sample selection strategy which leverages the most heterogeneous training samples. To ensure the biological soundness of the learned CBT, we propose a topological loss that minimizes the topological gap between the ground-truth brain graphs and the learned CBT. Our experiments show that from a single CBT, one can generate realistic connectomic datasets including brain graphs of varying resolutions and modalities. We further demonstrate that our framework significantly outperforms benchmarks in reconstruction quality, augmentation task, centeredness and topological soundness.

Efficient and automated design of optimizers plays a crucial role in full-stack AutoML systems. However, prior methods in optimizer search are often limited by their scalability, generability, or sample efficiency. With the goal of democratizing research and application of optimizer search, we present the first efficient, scalable and generalizable framework that can directly search on the tasks of interest. We first observe that optimizer updates are fundamentally mathematical expressions applied to the gradient. Inspired by the innate tree structure of the underlying math expressions, we re-arrange the space of optimizers into a super-tree, where each path encodes an optimizer. This way, optimizer search can be naturally formulated as a path-finding problem, allowing a variety of well-established tree traversal methods to be used as the search algorithm. We adopt an adaptation of the Monte Carlo method to tree search, equipped with rejection sampling and equivalent- form detection that leverage the characteristics of optimizer update rules to further boost the sample efficiency. We provide a diverse set of tasks to benchmark our algorithm and demonstrate that, with only 128 evaluations, the proposed framework can discover optimizers that surpass both human-designed counterparts and prior optimizer search methods.

Purely data-driven deep neural networks (DNNs) applied to physical engineering systems can infer relations that violate physics laws, thus leading to unexpected consequences. To address this challenge, we propose a physics-model-based DNN framework, called Phy-Taylor, that accelerates learning compliant representations with physical knowledge. The Phy-Taylor framework makes two key contributions; it introduces a new architectural Physics-compatible neural network (PhN), and features a novel compliance mechanism, we call {\em Physics-guided Neural Network Editing\/}. The PhN aims to directly capture nonlinearities inspired by physical quantities, such as kinetic energy, potential energy, electrical power, and aerodynamic drag force. To do so, the PhN augments neural network layers with two key components: (i) monomials of Taylor series expansion of nonlinear functions capturing physical knowledge, and (ii) a suppressor for mitigating the influence of noise. The neural-network editing mechanism further modifies network links and activation functions consistently with physical knowledge. As an extension, we also propose a self-correcting Phy-Taylor framework that introduces two additional capabilities: (i) physics-model-based safety relationship learning, and (ii) automatic output correction when violations of safety occur. Through experiments, we show that (by expressing hard-to-learn nonlinearities directly and by constraining dependencies) Phy-Taylor features considerably fewer parameters, and a remarkably accelerated training process, while offering enhanced model robustness and accuracy.

Time series data appears in a variety of applications such as smart transportation and environmental monitoring. One of the fundamental problems for time series analysis is time series forecasting. Despite the success of recent deep time series forecasting methods, they require sufficient observation of historical values to make accurate forecasting. In other words, the ratio of the output length (or forecasting horizon) to the sum of the input and output lengths should be low enough (e.g., 0.3). As the ratio increases (e.g., to 0.8), the uncertainty for the forecasting accuracy increases significantly. In this paper, we show both theoretically and empirically that the uncertainty could be effectively reduced by retrieving relevant time series as references. In the theoretical analysis, we first quantify the uncertainty and show its connections to the Mean Squared Error (MSE). Then we prove that models with references are easier to learn than models without references since the retrieved references could reduce the uncertainty. To empirically demonstrate the effectiveness of the retrieval based time series forecasting models, we introduce a simple yet effective two-stage method, called ReTime consisting of a relational retrieval and a content synthesis. We also show that ReTime can be easily adapted to the spatial-temporal time series and time series imputation settings. Finally, we evaluate ReTime on real-world datasets to demonstrate its effectiveness.

Generative adversarial networks (GANs) have proven effective in modeling distributions of high-dimensional data. However, their training instability is a well-known hindrance to convergence, which results in practical challenges in their applications to novel data. Furthermore, even when convergence is reached, GANs can be affected by mode collapse, a phenomenon for which the generator learns to model only a small part of the target distribution, disregarding the vast majority of the data manifold or distribution. This paper addresses these challenges by introducing SetGAN, an adversarial architecture that processes sets of generated and real samples, and discriminates between the origins of these sets (i.e., training versus generated data) in a flexible, permutation invariant manner. We also propose a new metric to quantitatively evaluate GANs that does not require previous knowledge of the application, apart from the data itself. Using the new metric, in conjunction with the state-of-the-art evaluation methods, we show that the proposed architecture, when compared with GAN variants stemming from similar strategies, produces more accurate models of the input data in a way that is also less sensitive to hyperparameter settings.

In the context of supervised learning of a function by a neural network, we claim and empirically verify that the neural network yields better results when the distribution of the data set focuses on regions where the function to learn is steep. We first traduce this assumption in a mathematically workable way using Taylor expansion and emphasize a new training distribution based on the derivatives of the function to learn. Then, theoretical derivations allow constructing a methodology that we call Variance Based Samples Weighting (VBSW). VBSW uses labels local variance to weight the training points. This methodology is general, scalable, cost-effective, and significantly increases the performances of a large class of neural networks for various classification and regression tasks on image, text, and multivariate data. We highlight its benefits with experiments involving neural networks from linear models to ResNet and Bert.

Existing imitation learning methods mainly focus on making an agent effectively mimic a demonstrated behavior, but do not address the potential contradiction between the behavior style and the objective of a task. There is a general lack of efficient methods that allow an agent to partially imitate a demonstrated behavior to varying degrees, while completing the main objective of a task. In this paper we propose a method called Regularized Soft Actor-Critic which formulates the main task and the imitation task under the Constrained Markov Decision Process framework (CMDP). The main task is defined as the maximum entropy objective used in Soft Actor-Critic (SAC) and the imitation task is defined as a constraint. We evaluate our method on continuous control tasks relevant to video games applications.

The cubic regularization method (CR) is a popular algorithm for unconstrained non-convex optimization. At each iteration, CR solves a cubically regularized quadratic problem, called the cubic regularization subproblem (CRS). One way to solve the CRS relies on solving the secular equation, whose computational bottleneck lies in the computation of all eigenvalues of the Hessian matrix. In this paper, we propose and analyze a novel CRS solver based on an approximate secular equation, which requires only some of the Hessian eigenvalues and is therefore much more efficient. Two approximate secular equations (ASEs) are developed. For both ASEs, we first study the existence and uniqueness of their roots and then establish an upper bound on the gap between the root and that of the standard secular equation. Such an upper bound can in turn be used to bound the distance from the approximate CRS solution based ASEs to the true CRS solution, thus offering a theoretical guarantee for our CRS solver. A desirable feature of our CRS solver is that it requires only matrix-vector multiplication but not matrix inversion, which makes it particularly suitable for high-dimensional applications of unconstrained non-convex optimization, such as low-rank recovery and deep learning. Numerical experiments with synthetic and real data-sets are conducted to investigate the practical performance of the proposed CRS solver. Experimental results show that the proposed solver outperforms two state-of-the-art methods.

Deep Neural Networks (DNNs) are susceptible to elaborately designed perturbations, whether such perturbations are dependent or independent of images. The latter one, called Universal Adversarial Perturbation (UAP), is very attractive for model robustness analysis, since its independence of input reveals the intrinsic characteristics of the model. Relatively, another interesting observation is Neural Collapse (NC), which means the feature variability may collapse during the terminal phase of training. Motivated by this, we propose to generate UAP by attacking the layer where NC phenomenon happens. Because of NC, the proposed attack could gather all the natural images' features to its surrounding, which is hence called Feature-Gathering UAP (FG-UAP). We evaluate the effectiveness our proposed algorithm on abundant experiments, including untargeted and targeted universal attacks, attacks under limited dataset, and transfer-based black-box attacks among different architectures including Vision Transformers, which are believed to be more robust. Furthermore, we investigate FG-UAP in the view of NC by analyzing the labels and extracted features of adversarial examples, finding that collapse phenomenon becomes stronger after the model is corrupted. The code will be released when the paper is accepted.

Interpretable machine learning seeks to understand the reasoning process of complex black-box systems that are long notorious for lack of explainability. One growing interpreting approach is through counterfactual explanations, which go beyond why a system arrives at a certain decision to further provide suggestions on what a user can do to alter the outcome. A counterfactual example must be able to counter the original prediction from the black-box classifier, while also satisfying various constraints for practical applications. These constraints exist at trade-offs between one and another presenting radical challenges to existing works. To this end, we propose a stochastic learning-based framework that effectively balances the counterfactual trade-offs. The framework consists of a generation and a feature selection module with complementary roles: the former aims to model the distribution of valid counterfactuals whereas the latter serves to enforce additional constraints in a way that allows for differentiable training and amortized optimization. We demonstrate the effectiveness of our method in generating actionable and plausible counterfactuals that are more diverse than the existing methods and particularly in a more efficient manner than counterparts of the same capacity.

A wide range of optimization problems arising in machine learning can be solved by gradient descent algorithms, and a central question in this area is how to efficiently compress a large-scale dataset so as to reduce the computational complexity. {\em Coreset} is a popular data compression technique that has been extensively studied before. However, most of existing coreset methods are problem-dependent and cannot be used as a general tool for a broader range of applications. A key obstacle is that they often rely on the pseudo-dimension and total sensitivity bound that can be very high or hard to obtain. In this paper, based on the ''locality'' property of gradient descent algorithms, we propose a new framework, termed ''sequential coreset'', which effectively avoids these obstacles. Moreover, our method is particularly suitable for sparse optimization whence the coreset size can be further reduced to be only poly-logarithmically dependent on the dimension. In practice, the experimental results suggest that our method can save a large amount of running time compared with the baseline algorithms.

Graph neural networks (GNNs) continue to achieve state-of-the-art performance on many graph learning tasks, but rely on the assumption that a given graph is a sufficient approximation of the true neighborhood structure. When a system contains higher-order sequential dependencies, we show that the tendency of traditional graph representations to underfit each node's neighborhood causes existing GNNs to generalize poorly. To address this, we propose a novel Deep Graph Ensemble (DGE), which captures neighborhood variance by training an ensemble of GNNs on different neighborhood subspaces of the same node within a higher-order network structure. We show that DGE consistently outperforms existing GNNs on semisupervised and supervised tasks on six real-world data sets with known higher-order dependencies, even under a similar parameter budget. We demonstrate that learning diverse and accurate base classifiers is central to DGE's success, and discuss the implications of these findings for future work on ensembles of GNNs.

The growing complexity and capacity demands for mobile networks necessitate innovative techniques for optimizing resource usage. Meanwhile, recent breakthroughs have brought Reinforcement Learning (RL) into the domain of continuous control of real-world systems. As a step towards RL-based network control, this paper introduces a new framework for benchmarking the performance of an RL agent in network environments simulated with ns-3. Within this framework, we demonstrate that an RL agent without domain-specific knowledge can learn how to efficiently adjust Radio Access Network (RAN) parameters to match offline optimization in static scenarios, while also adapting on the fly in dynamic scenarios, in order to improve the overall user experience. Our proposed framework may serve as a foundation for further work in developing workflows for designing RL-based RAN control algorithms.

The peer merit review of research proposals has been the major mechanism for deciding grant awards. However, research proposals have become increasingly interdisciplinary. It has been a longstanding challenge to assign interdisciplinary proposals to appropriate reviewers, so proposals are fairly evaluated. One of the critical steps in reviewer assignment is to generate accurate interdisciplinary topic labels for proposal-reviewer matching. Existing systems mainly collect topic labels manually generated by principal investigators. However, such human-reported labels can be non-accurate, incomplete, labor intensive, and time costly. What role can AI play in developing a fair and precise proposal reviewer assignment system? In this study, we collaborate with the National Science Foundation of China to address the task of automated interdisciplinary topic path detection. For this purpose, we develop a deep Hierarchical Interdisciplinary Research Proposal Classification Network (HIRPCN). Specifically, we first propose a hierarchical transformer to extract the textual semantic information of proposals. We then design an interdisciplinary graph and leverage GNNs for learning representations of each discipline in order to extract interdisciplinary knowledge. After extracting the semantic and interdisciplinary knowledge, we design a level-wise prediction component to fuse the two types of knowledge representations and detect interdisciplinary topic paths for each proposal. We conduct extensive experiments and expert evaluations on three real-world datasets to demonstrate the effectiveness of our proposed model.

This paper addresses the problem of image reconstruction for region-of-interest (ROI) computed tomography (CT). While model-based iterative methods can be used for such a problem, their practicability is often limited due to tedious parameterization and slow convergence. In addition, inadequate solutions can be obtained when the retained priors do not perfectly fit the solution space. Deep learning methods offer an alternative approach that is fast, leverages information from large data sets, and thus can reach high reconstruction quality. However, these methods usually rely on black boxes not accounting for the physics of the imaging system, and their lack of interpretability is often deplored. At the crossroads of both methods, unfolded deep learning techniques have been recently proposed. They incorporate the physics of the model and iterative optimization algorithms into a neural network design, leading to superior performance in various applications. This paper introduces a novel, unfolded deep learning approach called U-RDBFB designed for ROI CT reconstruction from limited data. Few-view truncated data are efficiently handled thanks to a robust non-convex data fidelity function combined with sparsity-inducing regularization functions. Iterations of a block dual forward-backward (DBFB) algorithm, embedded in an iterative reweighted scheme, are then unrolled over a neural network architecture, allowing the learning of various parameters in a supervised manner. Our experiments show an improvement over various state-of-the-art methods, including model-based iterative schemes, deep learning architectures, and deep unfolding methods.

Aims. With the large amount of molecular emission data from (sub)millimeter observatories and incoming James Webb Space Telescope infrared spectroscopy, access to fast forward models of the chemical composition of protoplanetary disks is of paramount importance. Methods. We used a thermo-chemical modeling code to generate a diverse population of protoplanetary disk models. We trained a K-nearest neighbors (KNN) regressor to instantly predict the chemistry of other disk models. Results. We show that it is possible to accurately reproduce chemistry using just a small subset of physical conditions, thanks to correlations between the local physical conditions in adopted protoplanetary disk models. We discuss the uncertainties and limitations of this method. Conclusions. The proposed method can be used for Bayesian fitting of the line emission data to retrieve disk properties from observations. We present a pipeline for reproducing the same approach on other disk chemical model sets.

Executing workflows on volunteer computing resources where individual tasks may be forced to relinquish their resource for the resource's primary use leads to unpredictability and often significantly increases execution time. Task replication is one approach that can ameliorate this challenge. This comes at the expense of a potentially significant increase in system load and energy consumption. We propose the use of Reinforcement Learning (RL) such that a system may `learn' the `best' number of replicas to run to increase the number of workflows which complete promptly whilst minimising the additional workload on the system when replicas are not beneficial. We show, through simulation, that we can save 34% of the energy consumption using RL compared to a fixed number of replicas with only a 4% decrease in workflows achieving a pre-defined overhead bound.

In the field of materials science, microscopy is the first and often only accessible method for structural characterization. There is a growing interest in the development of machine learning methods that can automate the analysis and interpretation of microscopy images. Typically training of machine learning models requires large numbers of images with associated structural labels, however, manual labeling of images requires domain knowledge and is prone to human error and subjectivity. To overcome these limitations, we present a semi-supervised transfer learning approach that uses a small number of labeled microscopy images for training and performs as effectively as methods trained on significantly larger image datasets. Specifically, we train an image encoder with unlabeled images using self-supervised learning methods and use that encoder for transfer learning of different downstream image tasks (classification and segmentation) with a minimal number of labeled images for training. We test the transfer learning ability of two self-supervised learning methods: SimCLR and Barlow-Twins on transmission electron microscopy (TEM) images. We demonstrate in detail how this machine learning workflow applied to TEM images of protein nanowires enables automated classification of nanowire morphologies (e.g., single nanowires, nanowire bundles, phase separated) as well as segmentation tasks that can serve as groundwork for quantification of nanowire domain sizes and shape analysis. We also extend the application of the machine learning workflow to classification of nanoparticle morphologies and identification of different type of viruses from TEM images.  ( 3 min )

If we changed the rules, would the wise become fools? Different groups formalize reinforcement learning (RL) in different ways. If an agent in one RL framework is to run within another RL framework's environments, the agent must first be converted, or mapped, into that other framework. Whether or not this is possible depends on the RL frameworks in question and on how intelligence is measured. In this paper, we lay foundations for studying relative-intelligence-preserving mappability between RL frameworks.  ( 2 min )

Decrypting intelligence from the human brain construct is vital in the detection of particular neurological disorders. Recently, functional brain connectomes have been used successfully to predict behavioral scores. However, state-of-the-art methods, on one hand, neglect the topological properties of the connectomes and, on the other hand, fail to solve the high inter-subject brain heterogeneity. To address these limitations, we propose a novel regression graph neural network through meta-learning namely Meta-RegGNN for predicting behavioral scores from brain connectomes. The parameters of our proposed regression GNN are explicitly trained so that a small number of gradient steps combined with a small training data amount produces a good generalization to unseen brain connectomes. Our results on verbal and full-scale intelligence quotient (IQ) prediction outperform existing methods in both neurotypical and autism spectrum disorder cohorts. Furthermore, we show that our proposed approach ensures generalizability, particularly for autistic subjects. Our Meta-RegGNN source code is available at https://github.com/basiralab/Meta-RegGNN.

We propose PARSE, a novel semi-supervised architecture for learning strong EEG representations for emotion recognition. To reduce the potential distribution mismatch between the large amounts of unlabeled data and the limited amount of labeled data, PARSE uses pairwise representation alignment. First, our model performs data augmentation followed by label guessing for large amounts of original and augmented unlabeled data. This is then followed by sharpening of the guessed labels and convex combinations of the unlabeled and labeled data. Finally, representation alignment and emotion classification are performed. To rigorously test our model, we compare PARSE to several state-of-the-art semi-supervised approaches which we implement and adapt for EEG learning. We perform these experiments on four public EEG-based emotion recognition datasets, SEED, SEED-IV, SEED-V and AMIGOS (valence and arousal). The experiments show that our proposed framework achieves the overall best results with varying amounts of limited labeled samples in SEED, SEED-IV and AMIGOS (valence), while approaching the overall best result (reaching the second-best) in SEED-V and AMIGOS (arousal). The analysis shows that our pairwise representation alignment considerably improves the performance by reducing the distribution alignment between unlabeled and labeled data, especially when only 1 sample per class is labeled.  ( 3 min )

We propose a new regression algorithm that learns from a set of input-output pairs. Our algorithm is designed for populations where the relation between the input variables and the output variable exhibits a heterogeneous behavior across the predictor space. The algorithm starts with generating subsets that are concentrated around random points in the input space. This is followed by training a local predictor for each subset. Those predictors are then combined in a novel way to yield an overall predictor. We call this algorithm ``LEarning with Subset Stacking'' or LESS, due to its resemblance to the method of stacking regressors. We compare the testing performance of LESS with state-of-the-art methods on several datasets. Our comparison shows that LESS is a competitive supervised learning method. Moreover, we observe that LESS is also efficient in terms of computation time and it allows a straightforward parallel implementation.  ( 2 min )

In machine learning, stochastic gradient descent (SGD) is widely deployed to train models using highly non-convex objectives with equally complex noise models. Unfortunately, SGD theory often makes restrictive assumptions that fail to capture the non-convexity of real problems, and almost entirely ignore the complex noise models that exist in practice. In this work, we make substantial progress on this shortcoming. First, we establish that SGD's iterates will either globally converge to a stationary point or diverge under nearly arbitrary nonconvexity and noise models. Under a slightly more restrictive assumption on the joint behavior of the non-convexity and noise model that generalizes current assumptions in the literature, we show that the objective function cannot diverge, even if the iterates diverge. As a consequence of our results, SGD can be applied to a greater range of stochastic optimization problems with confidence about its global convergence behavior and stability.

The Variational Auto-Encoder (VAE) is one of the most used unsupervised machine learning models. But although the default choice of a Gaussian distribution for both the prior and posterior represents a mathematically convenient distribution often leading to competitive results, we show that this parameterization fails to model data with a latent hyperspherical structure. To address this issue we propose using a von Mises-Fisher (vMF) distribution instead, leading to a hyperspherical latent space. Through a series of experiments we show how such a hyperspherical VAE, or $\mathcal{S}$-VAE, is more suitable for capturing data with a hyperspherical latent structure, while outperforming a normal, $\mathcal{N}$-VAE, in low dimensions on other data types. Code at this http URL and https://github.com/nicola-decao/s-vae-pytorch

Deep reinforcement learning (DRL) algorithms have recently gained wide attention in the wireless networks domain. They are considered promising approaches for solving dynamic radio resource management (RRM) problems in next-generation networks. Given their capabilities to build an approximate and continuously updated model of the wireless network environments, DRL algorithms can deal with the multifaceted complexity of such environments. Nevertheless, several challenges hinder the practical adoption of DRL in commercial networks. In this article, we first discuss two key practical challenges that are faced but rarely tackled when developing DRL-based RRM solutions. We argue that it is inevitable to address these DRL-related challenges for DRL to find its way to RRM commercial solutions. In particular, we discuss the need to have safe and accelerated DRL-based RRM solutions that mitigate the slow convergence and performance instability exhibited by DRL algorithms. We then review and categorize the main approaches used in the RRM domain to develop safe and accelerated DRL-based solutions. Finally, a case study is conducted to demonstrate the importance of having safe and accelerated DRL-based RRM solutions. We employ multiple variants of transfer learning (TL) techniques to accelerate the convergence of intelligent radio access network (RAN) slicing DRL-based controllers. We also propose a hybrid TL-based approach and sigmoid function-based rewards as examples of safe exploration in DRL-based RAN slicing.  ( 3 min )

Artificial intelligence (AI) has been widely applied in drug discovery with a major task as molecular property prediction. Despite the boom of AI techniques in molecular representation learning, some key aspects underlying molecular property prediction haven't been carefully examined yet. In this study, we conducted a systematic comparison on three representative models, random forest, MolBERT and GROVER, which utilize three major molecular representations, extended-connectivity fingerprints, SMILES strings and molecular graphs, respectively. Notably, MolBERT and GROVER, are pretrained on large-scale unlabelled molecule corpuses in a self-supervised manner. In addition to the commonly used MoleculeNet benchmark datasets, we also assembled a suite of opioids-related datasets for downstream prediction evaluation. We first conducted dataset profiling on label distribution and structural analyses; we also examined the activity cliffs issue in the opioids-related datasets. Then, we trained 4,320 predictive models and evaluated the usefulness of the learned representations. Furthermore, we explored into the model evaluation by studying the effect of statistical tests, evaluation metrics and task settings. Finally, we dissected the chemical space generalization into inter-scaffold and intra-scaffold generalization and measured prediction performance to evaluate model generalizbility under both settings. By taking this respite, we reflected on the key aspects underlying molecular property prediction, the awareness of which can, hopefully, bring better AI techniques in this field.

Targeted adversarial attacks against Automatic Speech Recognition (ASR) are thought to require white-box access to the targeted model to be effective, which mitigates the threat that they pose. We show that the recent line of Transformer ASR models pretrained with Self-Supervised Learning (SSL) are much more at risk: adversarial examples generated against them are transferable, making these models vulnerable to targeted, zero-knowledge attacks. We release an adversarial dataset that partially fools most publicly released SSL-pretrained ASR models (Wav2Vec2, HuBERT, WavLM, etc). With low-level additive noise achieving a 30dB Signal-Noise Ratio, we can force these models to predict our target sentences with up to 80% accuracy, instead of their original transcription. With an ablation study, we show that Self-Supervised pretraining is the main cause of that vulnerability. We also propose an explanation for that curious phenomenon, which increases the threat posed by adversarial attacks on state-of-the-art ASR models.

A novel framework has recently been proposed for designing the molecular structure of chemical compounds with a desired chemical property, where design of novel drugs is an important topic in bioinformatics and chemo-informatics. The framework infers a desired chemical graph by solving a mixed integer linear program (MILP) that simulates the computation process of a feature function defined by a two-layered model on chemical graphs and a prediction function constructed by a machine learning method. A set of graph theoretical descriptors in the feature function plays a key role to derive a compact formulation of such an MILP. To improve the learning performance of prediction functions in the framework maintaining the compactness of the MILP, this paper utilizes the product of two of those descriptors as a new descriptor and then designs a method of reducing the number of descriptors. The results of our computational experiments suggest that the proposed method improved the learning performance for many chemical properties and can infer a chemical structure with up to 50 non-hydrogen atoms.

Recent studies on contrastive learning have achieved remarkable performance solely by leveraging few labels in the context of medical image segmentation. Existing methods mainly focus on instance discrimination and invariant mapping. However, they face three common pitfalls: (1) tailness: medical image data usually follows an implicit long-tail class distribution. Blindly leveraging all pixels in training hence can lead to the data imbalance issues, and cause deteriorated performance; (2) consistency: it remains unclear whether a segmentation model has learned meaningful and yet consistent anatomical features due to the intra-class variations between different anatomical features; and (3) diversity: the intra-slice correlations within the entire dataset have received significantly less attention. This motivates us to seek a principled approach for strategically making use of the dataset itself to discover similar yet distinct samples from different anatomical views. In this paper, we introduce a novel semi-supervised medical image segmentation framework termed Mine yOur owN Anatomy (MONA), and make three contributions. First, prior work argues that every pixel equally matters to the model training; we observe empirically that this alone is unlikely to define meaningful anatomical features, mainly due to lacking the supervision signal. We show two simple solutions towards learning invariances - through the use of stronger data augmentations and nearest neighbors. Second, we construct a set of objectives that encourage the model to be capable of decomposing medical images into a collection of anatomical features in an unsupervised manner. Lastly, our extensive results on three benchmark datasets with different labeled settings validate the effectiveness of our proposed MONA which achieves new state-of-the-art under different labeled settings.

The paper proposes a novel approach for gray scale images segmentation. It is based on multiple features extraction from single feature per image pixel, namely its intensity value, using Echo state network. The newly extracted features -- reservoir equilibrium states -- reveal hidden image characteristics that improve its segmentation via a clustering algorithm. Moreover, it was demonstrated that the intrinsic plasticity tuning of reservoir fits its equilibrium states to the original image intensity distribution thus allowing for its better segmentation. The proposed approach is tested on the benchmark image Lena.

Cortical prostheses are devices implanted in the visual cortex that attempt to restore lost vision by electrically stimulating neurons. Currently, the vision provided by these devices is limited, and accurately predicting the visual percepts resulting from stimulation is an open challenge. We propose to address this challenge by utilizing 'brain-like' convolutional neural networks (CNNs), which have emerged as promising models of the visual system. To investigate the feasibility of adapting brain-like CNNs for modeling visual prostheses, we developed a proof-of-concept model to predict the perceptions resulting from electrical stimulation. We show that a neurologically-inspired decoding of CNN activations produces qualitatively accurate phosphenes, comparable to phosphenes reported by real patients. Overall, this is an essential first step towards building brain-like models of electrical stimulation, which may not just improve the quality of vision provided by cortical prostheses but could also further our understanding of the neural code of vision.

Given a set of dissimilarity measurements amongst data points, determining what metric representation is most "consistent" with the input measurements or the metric that best captures the relevant geometric features of the data is a key step in many machine learning algorithms. Existing methods are restricted to specific kinds of metrics or small problem sizes because of the large number of metric constraints in such problems. In this paper, we provide an active set algorithm, Project and Forget, that uses Bregman projections, to solve metric constrained problems with many (possibly exponentially) inequality constraints. We provide a theoretical analysis of \textsc{Project and Forget} and prove that our algorithm converges to the global optimal solution and that the $L_2$ distance of the current iterate to the optimal solution decays asymptotically at an exponential rate. We demonstrate that using our method we can solve large problem instances of three types of metric constrained problems: general weight correlation clustering, metric nearness, and metric learning; in each case, out-performing the state of the art methods with respect to CPU times and problem sizes.

Sliced Wasserstein (SW) distance has been widely used in different application scenarios since it can be scaled to a large number of supports without suffering from the curse of dimensionality. The value of sliced Wasserstein distance is the average of transportation cost between one-dimensional representations (projections) of original measures that are obtained by Radon Transform (RT). Despite its efficiency in the number of supports, estimating the sliced Wasserstein requires a relatively large number of projections in high-dimensional settings. Therefore, for applications where the number of supports is relatively small compared with the dimension, e.g., several deep learning applications where the mini-batch approaches are utilized, the complexities from matrix multiplication of Radon Transform become the main computational bottleneck. To address this issue, we propose to derive projections by linearly and randomly combining a smaller number of projections which are named bottleneck projections. We explain the usage of these projections by introducing Hierarchical Radon Transform (HRT) which is constructed by applying Radon Transform variants recursively. We then formulate the approach into a new metric between measures, named Hierarchical Sliced Wasserstein (HSW) distance. By proving the injectivity of HRT, we derive the metricity of HSW. Moreover, we investigate the theoretical properties of HSW including its connection to SW variants and its computational and sample complexities. Finally, we compare the computational cost and generative quality of HSW with the conventional SW on the task of deep generative modeling using various benchmark datasets including CIFAR10, CelebA, and Tiny ImageNet.

We are currently unable to specify human goals and societal values in a way that reliably directs AI behavior. Law is a computational engine that converts opaque human values into legible and enforceable directives. Law Informs Code is the research agenda attempting to capture that complex computational process of human law, and embed it in AI. Similar to how parties to a legal contract cannot foresee every potential contingency of their future relationship, and legislators cannot predict all the circumstances under which their proposed bills will be applied, we cannot ex ante specify rules that provably direct good AI behavior. Legal theory and practice have developed arrays of tools to address these specification problems. For instance, legal standards allow humans to develop shared understandings and adapt them to novel situations. In contrast to more prosaic uses of the law (e.g., as a deterrent of bad behavior through the threat of sanction), leveraged as an expression of how humans communicate their goals, and what society values, Law Informs Code. We describe how the data generated by legal processes and the theoretical constructs and practices of law (methods of law-making, statutory interpretation, contract drafting, applications of standards, legal reasoning, etc.) can facilitate the robust specification of inherently vague human goals for AI. This helps with human-AI alignment and the local usefulness of AI. Toward society-AI alignment, we present a framework for understanding law as the applied philosophy of multi-agent alignment. Although law is partly a reflection of historically contingent political power - and thus not a perfect aggregation of citizen preferences - if properly parsed, its distillation offers a legitimate computational comprehension of societal values.

Although numerous methods to reduce the overfitting of convolutional neural networks (CNNs) exist, it is still not clear how to confidently measure the degree of overfitting. A metric reflecting the overfitting level might be, however, extremely helpful for the comparison of different architectures and for the evaluation of various techniques to tackle overfitting. Motivated by the fact that overfitted neural networks tend to rather memorize noise in the training data than generalize to unseen data, we examine how the training accuracy changes in the presence of increasing data perturbations and study the connection to overfitting. While previous work focused on label noise only, we examine a spectrum of techniques to inject noise into the training data, including adversarial perturbations and input corruptions. Based on this, we define two new metrics that can confidently distinguish between correct and overfitted models. For the evaluation, we derive a pool of models for which the overfitting behavior is known beforehand. To test the effect of various factors, we introduce several anti-overfitting measures in architectures based on VGG and ResNet and study their impact, including regularization techniques, training set size, and the number of parameters. Finally, we assess the applicability of the proposed metrics by measuring the overfitting degree of several CNN architectures outside of our model pool.

We experimentally validate a real-time machine learning framework, capable of controlling the pump power values of Raman amplifiers to shape the signal power evolution in two-dimensions (2D): frequency and fiber distance. In our setup, power values of four first-order counter-propagating pumps are optimized to achieve the desired 2D power profile. The pump power optimization framework includes a convolutional neural network (CNN) followed by differential evolution (DE) technique, applied online to the amplifier setup to automatically achieve the target 2D power profiles. The results on achievable 2D profiles show that the framework is able to guarantee very low maximum absolute error (MAE) (<0.5 dB) between the obtained and the target 2D profiles. Moreover, the framework is tested in a multi-objective design scenario where the goal is to achieve the 2D profiles with flat gain levels at the end of the span, jointly with minimum spectral excursion over the entire fiber length. In this case, the experimental results assert that for 2D profiles with the target flat gain levels, the DE obtains less than 1 dB maximum gain deviation, when the setup is not physically limited in the pump power values. The simulation results also prove that with enough pump power available, better gain deviation (less than 0.6 dB) for higher target gain levels is achievable.  ( 3 min )

Evaluation of text generation to date has primarily focused on content created sequentially, rather than improvements on a piece of text. Writing, however, is naturally an iterative and incremental process that requires expertise in different modular skills such as fixing outdated information or making the style more consistent. Even so, comprehensive evaluation of a model's capacity to perform these skills and the ability to edit remains sparse. This work presents EditEval: An instruction-based, benchmark and evaluation suite that leverages high-quality existing and new datasets for automatic evaluation of editing capabilities such as making text more cohesive and paraphrasing. We evaluate several pre-trained models, which shows that InstructGPT and PEER perform the best, but that most baselines fall below the supervised SOTA, particularly when neutralizing and updating information. Our analysis also shows that commonly used metrics for editing tasks do not always correlate well, and that optimization for prompts with the highest performance does not necessarily entail the strongest robustness to different models. Through the release of this benchmark and a publicly available leaderboard challenge, we hope to unlock future research in developing models capable of iterative and more controllable editing.  ( 2 min )

The accelerated growth in synthetic visual media generation and manipulation has now reached the point of raising significant concerns and posing enormous intimidations towards society. There is an imperative need for automatic detection networks towards false digital content and avoid the spread of dangerous artificial information to contend with this threat. In this paper, we utilize and compare two kinds of handcrafted features(SIFT and HoG) and two kinds of deep features(Xception and CNN+RNN) for the deepfake detection task. We also check the performance of these features when there are mismatches between training sets and test sets. Evaluation is performed on the famous FaceForensics++ dataset, which contains four sub-datasets, Deepfakes, Face2Face, FaceSwap and NeuralTextures. The best results are from Xception, where the accuracy could surpass over 99\% when the training and test set are both from the same sub-dataset. In comparison, the results drop dramatically when the training set mismatches the test set. This phenomenon reveals the challenge of creating a universal deepfake detection system.  ( 2 min )

Deep neural networks trained end-to-end to map a measurement of a (noisy) image to a clean image perform excellent for a variety of linear inverse problems. Current methods are only trained on a few hundreds or thousands of images as opposed to the millions of examples deep networks are trained on in other domains. In this work, we study whether major performance gains are expected from scaling up the training set size. We consider image denoising, accelerated magnetic resonance imaging, and super-resolution and empirically determine the reconstruction quality as a function of training set size, while optimally scaling the network size. For all three tasks we find that an initially steep power-law scaling slows significantly already at moderate training set sizes. Interpolating those scaling laws suggests that even training on millions of images would not significantly improve performance. To understand the expected behavior, we analytically characterize the performance of a linear estimator learned with early stopped gradient descent. The result formalizes the intuition that once the error induced by learning the signal model is small relative to the error floor, more training examples do not improve performance.  ( 2 min )

Pathologists diagnose and grade prostate cancer by examining tissue from needle biopsies on glass slides. The cancer's severity and risk of metastasis are determined by the Gleason grade, a score based on the organization and morphology of prostate cancer glands. For diagnostic work-up, pathologists first locate glands in the whole biopsy core, and -- if they detect cancer -- they assign a Gleason grade. This time-consuming process is subject to errors and significant inter-observer variability, despite strict diagnostic criteria. This paper proposes an automated workflow that follows pathologists' \textit{modus operandi}, isolating and classifying multi-scale patches of individual glands in whole slide images (WSI) of biopsy tissues using distinct steps: (1) two fully convolutional networks segment epithelium versus stroma and gland boundaries, respectively; (2) a classifier network separates benign from cancer glands at high magnification; and (3) an additional classifier predicts the grade of each cancer gland at low magnification. Altogether, this process provides a gland-specific approach for prostate cancer grading that we compare against other machine-learning-based grading methods.  ( 2 min )

Transformer architecture has become the fundamental element of the widespread natural language processing~(NLP) models. With the trends of large NLP models, the increasing memory and computation costs hinder their efficient deployment on resource-limited devices. Therefore, transformer quantization attracts wide research interest. Recent work recognizes that structured outliers are the critical bottleneck for quantization performance. However, their proposed methods increase the computation overhead and still leave the outliers there. To fundamentally address this problem, this paper delves into the inherent inducement and importance of the outliers. We discover that $\boldsymbol \gamma$ in LayerNorm (LN) acts as a sinful amplifier for the outliers, and the importance of outliers varies greatly where some outliers provided by a few tokens cover a large area but can be clipped sharply without negative impacts. Motivated by these findings, we propose an outlier suppression framework including two components: Gamma Migration and Token-Wise Clipping. The Gamma Migration migrates the outlier amplifier to subsequent modules in an equivalent transformation, contributing to a more quantization-friendly model without any extra burden. The Token-Wise Clipping takes advantage of the large variance of token range and designs a token-wise coarse-to-fine pipeline, obtaining a clipping range with minimal final quantization loss in an efficient way. This framework effectively suppresses the outliers and can be used in a plug-and-play mode. Extensive experiments prove that our framework surpasses the existing works and, for the first time, pushes the 6-bit post-training BERT quantization to the full-precision (FP) level. Our code is available at https://github.com/wimh966/outlier_suppression.  ( 3 min )

Explaining neural network models is a challenging task that remains unsolved in its entirety to this day. This is especially true for high dimensional and complex data. With the present work, we introduce two notions for conceptual views of a neural network, specifically a many-valued and a symbolic view. Both provide novel analysis methods to enable a human AI analyst to grasp deeper insights into the knowledge that is captured by the neurons of a network. We test the conceptual expressivity of our novel views through different experiments on the ImageNet and Fruit-360 data sets. Furthermore, we show to which extent the views allow to quantify the conceptual similarity of different learning architectures. Finally, we demonstrate how conceptual views can be applied for abductive learning of human comprehensible rules from neurons. In summary, with our work, we contribute to the most relevant task of globally explaining neural networks models.  ( 2 min )

To understand learning the dynamics of deep ReLU networks, we investigate the dynamic system of gradient flow $w(t)$ by decomposing it to magnitude $w(t)$ and angle $\phi(t):= \pi - \theta(t) $ components. In particular, for multi-layer single ReLU neurons with spherically symmetric data distribution and the square loss function, we provide upper and lower bounds for magnitude and angle components to describe the dynamics of gradient flow. Using the obtained bounds, we conclude that small scale initialization induces slow convergence speed for deep single ReLU neurons. Finally, by exploiting the relation of gradient flow and gradient descent, we extend our results to the gradient descent approach. All theoretical results are verified by experiments.  ( 2 min )

The backpropagation that drives the success of deep learning is most likely different from the learning mechanism of the brain. In this paper, we develop a biology-inspired learning rule that discovers features by local competitions among neurons, following the idea of Hebb's famous proposal. It is demonstrated that the unsupervised features learned by this local learning rule can serve as a pre-training model to improve the performance of some supervised learning tasks. More importantly, this local learning rule enables us to build a new learning paradigm very different from the backpropagation, named activation learning, where the output activation of the neural network roughly measures how probable the input patterns are. The activation learning is capable of learning plentiful local features from few shots of input patterns, and demonstrates significantly better performances than the backpropagation algorithm when the number of training samples is relatively small. This learning paradigm unifies unsupervised learning, supervised learning and generative models, and is also more secure against adversarial attack, paving a road to some possibilities of creating general-task neural networks.  ( 2 min )

Data-driven and deep learning approaches have demonstrated to have the potential of replacing classical constitutive models for complex materials, displaying path-dependency and possessing multiple inherent scales. Yet, the necessity of structuring constitutive models with an incremental formulation has given rise to data-driven approaches where physical quantities, e.g. deformation, blend with artificial, non-physical ones, such as the increments in deformation and time. Neural networks and the consequent constitutive models depend, thus, on the particular incremental formulation, fail in identifying material representations locally in time, and suffer from poor generalization. Here, we propose a new approach which allows, for the first time, to decouple the material representation from the incremental formulation. Inspired by the Thermodynamics-based Artificial Neural Networks (TANN) and the theory of the internal variables, the evolution TANN (eTANN) are continuous-time, thus independent of the aforementioned artificial quantities. Key feature of the proposed approach is the discovery of the evolution equations of the internal variables in the form of ordinary differential equations, rather than in an incremental discrete-time form. In this work, we focus attention to juxtapose and show how the various general notions of solid mechanics are implemented in eTANN. The laws of thermodynamics are hardwired in the structure of the network and allow predictions which are always consistent. We propose a methodology that allows to discover, from data and first principles, admissible sets of internal variables from the microscopic fields in complex materials. The capabilities as well as the scalability of the proposed approach are demonstrated through several applications involving a broad spectrum of complex material behaviors, from plasticity to damage and viscosity.  ( 3 min )

Personalized Federated Learning (PFL) is a new Federated Learning (FL) approach to address the heterogeneity issue of the datasets generated by distributed user equipments (UEs). However, most existing PFL implementations rely on synchronous training to ensure good convergence performances, which may lead to a serious straggler problem, where the training time is heavily prolonged by the slowest UE. To address this issue, we propose a semi-synchronous PFL algorithm, termed as Semi-Synchronous Personalized FederatedAveraging (PerFedS$^2$), over mobile edge networks. By jointly optimizing the wireless bandwidth allocation and UE scheduling policy, it not only mitigates the straggler problem but also provides convergent training loss guarantees. We derive an upper bound of the convergence rate of PerFedS2 in terms of the number of participants per global round and the number of rounds. On this basis, the bandwidth allocation problem can be solved using analytical solutions and the UE scheduling policy can be obtained by a greedy algorithm. Experimental results verify the effectiveness of PerFedS2 in saving training time as well as guaranteeing the convergence of training loss, in contrast to synchronous and asynchronous PFL algorithms.  ( 2 min )

This paper presents a method to simulate the thermal behavior of 3D systems using a graph neural network. The method discussed achieves a significant speed-up with respect to a traditional finite-element simulation. The graph neural network is trained on a diverse dataset of 3D CAD designs and the corresponding finite-element simulations, representative of the different geometries, material properties and losses that appear in the design of electronic systems. We present for the transient thermal behavior of a test system. The accuracy of the network result for one-step predictions is remarkable (\SI{0.003}{\%} error). After 400 time steps, the accumulated error reaches \SI{0.78}{\%}. The computing time of each time step is \SI{50}{ms}. Reducing the accumulated error is the current focus of our work. In the future, a tool such as the one we are presenting could provide nearly instantaneous approximations of the thermal behavior of a system that can be used for design optimization.  ( 2 min )

Accurate traffic forecasting is vital to an intelligent transportation system. Although many deep learning models have achieved state-of-art performance for short-term traffic forecasting of up to 1 hour, long-term traffic forecasting that spans multiple hours remains a major challenge. Moreover, most of the existing deep learning traffic forecasting models are black box, presenting additional challenges related to explainability and interpretability. We develop Graph Pyramid Autoformer (X-GPA), an explainable attention-based spatial-temporal graph neural network that uses a novel pyramid autocorrelation attention mechanism. It enables learning from long temporal sequences on graphs and improves long-term traffic forecasting accuracy. Our model can achieve up to 35 % better long-term traffic forecast accuracy than that of several state-of-the-art methods. The attention-based scores from the X-GPA model provide spatial and temporal explanations based on the traffic dynamics, which change for normal vs. peak-hour traffic and weekday vs. weekend traffic.  ( 2 min )

Safety is a crucial property of every robotic platform: any control policy should always comply with actuator limits and avoid collisions with the environment and humans. In reinforcement learning, safety is even more fundamental for exploring an environment without causing any damage. While there are many proposed solutions to the safe exploration problem, only a few of them can deal with the complexity of the real world. This paper introduces a new formulation of safe exploration for reinforcement learning of various robotic tasks. Our approach applies to a wide class of robotic platforms and enforces safety even under complex collision constraints learned from data by exploring the tangent space of the constraint manifold. Our proposed approach achieves state-of-the-art performance in simulated high-dimensional and dynamic tasks while avoiding collisions with the environment. We show safe real-world deployment of our learned controller on a TIAGo++ robot, achieving remarkable performance in manipulation and human-robot interaction tasks.  ( 2 min )

Reinforcement learning algorithms have become more complex since the invention of target networks. Unfortunately, target networks have not kept up with this increased complexity, instead requiring approximate solutions to be computationally feasible. These approximations increase noise in the Q-value targets and in the replay sampling distribution. Paused Agent Replay Refresh (PARR) is a drop-in replacement for target networks that supports more complex learning algorithms without this need for approximation. Using a basic Q-network architecture, and refreshing the novelty values, target values, and replay sampling distribution, PARR gets 2500 points in Montezuma's Revenge after only 30.9 million Atari frames. Finally, interpreting PARR in the context of carbon-based learning offers a new reason for sleep.  ( 2 min )

We introduce VISOR, a new dataset of pixel annotations and a benchmark suite for segmenting hands and active objects in egocentric video. VISOR annotates videos from EPIC-KITCHENS, which comes with a new set of challenges not encountered in current video segmentation datasets. Specifically, we need to ensure both short- and long-term consistency of pixel-level annotations as objects undergo transformative interactions, e.g. an onion is peeled, diced and cooked - where we aim to obtain accurate pixel-level annotations of the peel, onion pieces, chopping board, knife, pan, as well as the acting hands. VISOR introduces an annotation pipeline, AI-powered in parts, for scalability and quality. In total, we publicly release 272K manual semantic masks of 257 object classes, 9.9M interpolated dense masks, 67K hand-object relations, covering 36 hours of 179 untrimmed videos. Along with the annotations, we introduce three challenges in video object segmentation, interaction understanding and long-term reasoning. For data, code and leaderboards: this http URL  ( 2 min )

Domain adaptation is an attractive approach given the availability of a large amount of labeled data with similar properties but different domains. It is effective in image classification tasks where obtaining sufficient label data is challenging. We propose a novel method, named SELDA, for stacking ensemble learning via extending three domain adaptation methods for effectively solving real-world problems. The major assumption is that when base domain adaptation models are combined, we can obtain a more accurate and robust model by exploiting the ability of each of the base models. We extend Maximum Mean Discrepancy (MMD), Low-rank coding, and Correlation Alignment (CORAL) to compute the adaptation loss in three base models. Also, we utilize a two-fully connected layer network as a meta-model to stack the output predictions of these three well-performing domain adaptation models to obtain high accuracy in ophthalmic image classification tasks. The experimental results using Age-Related Eye Disease Study (AREDS) benchmark ophthalmic dataset demonstrate the effectiveness of the proposed model.  ( 2 min )

Stochastic optimization of the Area Under the Precision-Recall Curve (AUPRC) is a crucial problem for machine learning. Although various algorithms have been extensively studied for AUPRC optimization, the generalization is only guaranteed in the multi-query case. In this work, we present the first trial in the single-query generalization of stochastic AUPRC optimization. For sharper generalization bounds, we focus on algorithm-dependent generalization. There are both algorithmic and theoretical obstacles to our destination. From an algorithmic perspective, we notice that the majority of existing stochastic estimators are biased only when the sampling strategy is biased, and is leave-one-out unstable due to the non-decomposability. To address these issues, we propose a sampling-rate-invariant unbiased stochastic estimator with superior stability. On top of this, the AUPRC optimization is formulated as a composition optimization problem, and a stochastic algorithm is proposed to solve this problem. From a theoretical perspective, standard techniques of the algorithm-dependent generalization analysis cannot be directly applied to such a listwise compositional optimization problem. To fill this gap, we extend the model stability from instancewise losses to listwise losses and bridge the corresponding generalization and stability. Additionally, we construct state transition matrices to describe the recurrence of the stability, and simplify calculations by matrix spectrum. Practically, experimental results on three image retrieval datasets on speak to the effectiveness and soundness of our framework.  ( 3 min )

This paper proposes a novel stroke-based rendering (SBR) method that translates images into vivid oil paintings. Previous SBR techniques usually formulate the oil painting problem as pixel-wise approximation. Different from this technique route, we treat oil painting creation as an adaptive sampling problem. Firstly, we compute a probability density map based on the texture complexity of the input image. Then we use the Voronoi algorithm to sample a set of pixels as the stroke anchors. Next, we search and generate an individual oil stroke at each anchor. Finally, we place all the strokes on the canvas to obtain the oil painting. By adjusting the hyper-parameter maximum sampling probability, we can control the oil painting fineness in a linear manner. Comparison with existing state-of-the-art oil painting techniques shows that our results have higher fidelity and more realistic textures. A user opinion test demonstrates that people behave more preference toward our oil paintings than the results of other methods. More interesting results and the code are in https://github.com/TZYSJTU/Im2Oil.  ( 3 min )

To have the greatest impact, public health initiatives must be made using evidence-based decision-making. Machine learning Algorithms are created to gather, store, process, and analyse data to provide knowledge and guide decisions. A crucial part of any surveillance system is image analysis. The communities of computer vision and machine learning has ended up curious about it as of late. This study uses a variety of machine learning and image processing approaches to detect and forecast the malarial illness. In our research, we discovered the potential of deep learning techniques as smart tools with broader applicability for malaria detection, which benefits physicians by assisting in the diagnosis of the condition. We examine the common confinements of deep learning for computer frameworks and organising, counting need of preparing data, preparing overhead, realtime execution, and explain ability, and uncover future inquire about bearings focusing on these restrictions.  ( 2 min )

Deep learning advanced to one of the most important technologies in almost all medical fields. Especially in areas, related to medical imaging it plays a big role. However, in interventional radiotherapy (brachytherapy) deep learning is still in an early phase. In this review, first, we investigated and scrutinised the role of deep learning in all processes of interventional radiotherapy and directly related fields. Additionally we summarised the most recent developments. To reproduce results of deep learning algorithms both source code and training data must be available. Therefore, a second focus of this work was on the analysis of the availability of open source, open data and open models. In our analysis, we were able to show that deep learning plays already a major role in some areas of interventional radiotherapy, but is still hardly presented in others. Nevertheless, its impact is increasing with the years, partly self-propelled but also influenced by closely related fields. Open source, data and models are growing in number but are still scarce and unevenly distributed among different research groups. The reluctance in publishing code, data and models limits reproducibility and restricts evaluation to mono-institutional datasets. Summarised, deep learning will change positively the workflow of interventional radiotherapy but there is room for improvement when it comes to reproducible results and standardised evaluation methods.  ( 3 min )

As recommender systems become increasingly central for sorting and prioritizing the content available online, they have a growing impact on the opportunities or revenue of their items producers. For instance, they influence which recruiter a resume is recommended to, or to whom and how much a music track, video or news article is being exposed. This calls for recommendation approaches that not only maximize (a proxy of) user satisfaction, but also consider some notion of fairness in the exposure of items or groups of items. Formally, such recommendations are usually obtained by maximizing a concave objective function in the space of randomized rankings. When the total exposure of an item is defined as the sum of its exposure over users, the optimal rankings of every users become coupled, which makes the optimization process challenging. Existing approaches to find these rankings either solve the global optimization problem in a batch setting, i.e., for all users at once, which makes them inapplicable at scale, or are based on heuristics that have weak theoretical guarantees. In this paper, we propose the first efficient online algorithm to optimize concave objective functions in the space of rankings which applies to every concave and smooth objective function, such as the ones found for fairness of exposure. Based on online variants of the Frank-Wolfe algorithm, we show that our algorithm is computationally fast, generating rankings on-the-fly with computation cost dominated by the sort operation, memory efficient, and has strong theoretical guarantees. Compared to baseline policies that only maximize user-side performance, our algorithm allows to incorporate complex fairness of exposure criteria in the recommendations with negligible computational overhead.  ( 3 min )

This paper introduces a new representation for the actions of a market maker in an order-driven market. This representation uses scaled beta distributions, and generalises three approaches taken in the artificial intelligence for market making literature: single price-level selection, ladder strategies and "market making at the touch". Ladder strategies place uniform volume across an interval of contiguous prices. Scaled beta distribution based policies generalise these, allowing volume to be skewed across the price interval. We demonstrate that this flexibility is useful for inventory management, one of the key challenges faced by a market maker. In this paper, we conduct three main experiments: first, we compare our more flexible beta-based actions with the special case of ladder strategies; then, we investigate the performance of simple fixed distributions; and finally, we devise and evaluate a simple and intuitive dynamic control policy that adjusts actions in a continuous manner depending on the signed inventory that the market maker has acquired. All empirical evaluations use a high-fidelity limit order book simulator based on historical data with 50 levels on each side.  ( 3 min )

The ionization edges encoded in the electron energy loss spectroscopy (EELS) spectra enable advanced material analysis including composition analyses and elemental quantifications. The development of the parallel EELS instrument and fast, sensitive detectors have greatly improved the acquisition speed of EELS spectra. However, the traditional way of core-loss edge recognition is experience based and human labor dependent, which limits the processing speed. So far, the low signal-noise ratio and the low jump ratio of the core-loss edges on the raw EELS spectra have been challenging for the automation of edge recognition. In this work, a convolutional-bidirectional long short-term memory neural network (CNN-BiLSTM) is proposed to automate the detection and elemental identification of core-loss edges from raw spectra. An EELS spectral database is synthesized by using our forward model to assist in the training and validation of the neural network. To make the synthesized spectra resemble the real spectra, we collected a large library of experimentally acquired EELS core edges. In synthesize the training library, the edges are modeled by fitting the multi-gaussian model to the real edges from experiments, and the noise and instrumental imperfectness are simulated and added. The well-trained CNN-BiLSTM network is tested against both the simulated spectra and real spectra collected from experiments. The high accuracy of the network, 94.9 %, proves that, without complicated preprocessing of the raw spectra, the proposed CNN-BiLSTM network achieves the automation of core-loss edge recognition for EELS spectra with high accuracy.  ( 3 min )

The field of electricity price forecasting has seen significant advances in the last years, including the development of new, more accurate forecast models. These models leverage statistical relationships in previously observed data to predict the future; however, there is a lack of analysis explaining these models, which limits their real world applicability in critical infrastructure. In this paper, using data from the Belgian electricity markets, we explore a state-of-the-art forecasting model to understand if its predictions can be trusted in more general settings than the limited context it is trained in. If the model produces poor predictions in extreme conditions or if its predictions are inconsistent with reality, it cannot be relied upon in real-world where these forecasts are used in downstream decision-making activities. Our results show that, despite being largely accurate enough in general, even state of the art forecasts struggle with remaining consistent with reality.  ( 2 min )

We present a new approach to the global fairness verification of tree-based classifiers. Given a tree-based classifier and a set of sensitive features potentially leading to discrimination, our analysis synthesizes sufficient conditions for fairness, expressed as a set of traditional propositional logic formulas, which are readily understandable by human experts. The verified fairness guarantees are global, in that the formulas predicate over all the possible inputs of the classifier, rather than just a few specific test instances. Our analysis is formally proved both sound and complete. Experimental results on public datasets show that the analysis is precise, explainable to human experts and efficient enough for practical adoption.  ( 2 min )

Recent advances in remote patient monitoring (RPM) systems can recognize various human activities to measure vital signs, including subtle motions from superficial vessels. There is a growing interest in applying artificial intelligence (AI) to this area of healthcare by addressing known limitations and challenges such as predicting and classifying vital signs and physical movements, which are considered crucial tasks. Federated learning is a relatively new AI technique designed to enhance data privacy by decentralizing traditional machine learning modeling. However, traditional federated learning requires identical architectural models to be trained across the local clients and global servers. This limits global model architecture due to the lack of local models heterogeneity. To overcome this, a novel federated learning architecture, FedStack, which supports ensembling heterogeneous architectural client models was proposed in this study. This work offers a protected privacy system for hospitalized in-patients in a decentralized approach and identifies optimum sensor placement. The proposed architecture was applied to a mobile health sensor benchmark dataset from 10 different subjects to classify 12 routine activities. Three AI models, ANN, CNN, and Bi-LSTM were trained on individual subject data. The federated learning architecture was applied to these models to build local and global models capable of state of the art performances. The local CNN model outperformed ANN and Bi-LSTM models on each subject data. Our proposed work has demonstrated better performance for heterogeneous stacking of the local models compared to homogeneous stacking. This work sets the stage to build an enhanced RPM system that incorporates client privacy to assist with clinical observations for patients in an acute mental health facility and ultimately help to prevent unexpected death.  ( 3 min )

The mean exit time escaping basin of attraction in the presence of white noise is of practical importance in various scientific fields. In this work, we propose a strategy to control mean exit time of general stochastic dynamical systems to achieve a desired value based on the quasipotential concept and machine learning. Specifically, we develop a neural network architecture to compute the global quasipotential function. Then we design a systematic iterated numerical algorithm to calculate the controller for a given mean exit time. Moreover, we identify the most probable path between metastable attractors with help of the effective Hamilton-Jacobi scheme and the trained neural network. Numerical experiments demonstrate that our control strategy is effective and sufficiently accurate.  ( 2 min )

Experimental data is costly to obtain, which makes it difficult to calibrate complex models. For many models an experimental design that produces the best calibration given a limited experimental budget is not obvious. This paper introduces a deep reinforcement learning (RL) algorithm for design of experiments that maximizes the information gain measured by Kullback-Leibler (KL) divergence obtained via the Kalman filter (KF). This combination enables experimental design for rapid online experiments where traditional methods are too costly. We formulate possible configurations of experiments as a decision tree and a Markov decision process (MDP), where a finite choice of actions is available at each incremental step. Once an action is taken, a variety of measurements are used to update the state of the experiment. This new data leads to a Bayesian update of the parameters by the KF, which is used to enhance the state representation. In contrast to the Nash-Sutcliffe efficiency (NSE) index, which requires additional sampling to test hypotheses for forward predictions, the KF can lower the cost of experiments by directly estimating the values of new data acquired through additional actions. In this work our applications focus on mechanical testing of materials. Numerical experiments with complex, history-dependent models are used to verify the implementation and benchmark the performance of the RL-designed experiments.  ( 3 min )

Hindsight goal relabeling has become a foundational technique for multi-goal reinforcement learning (RL). The idea is quite simple: any arbitrary trajectory can be seen as an expert demonstration for reaching the trajectory's end state. Intuitively, this procedure trains a goal-conditioned policy to imitate a sub-optimal expert. However, this connection between imitation and hindsight relabeling is not well understood. Modern imitation learning algorithms are described in the language of divergence minimization, and yet it remains an open problem how to recast hindsight goal relabeling into that framework. In this work, we develop a unified objective for goal-reaching that explains such a connection, from which we can derive goal-conditioned supervised learning (GCSL) and the reward function in hindsight experience replay (HER) from first principles. Experimentally, we find that despite recent advances in goal-conditioned behaviour cloning (BC), multi-goal Q-learning can still outperform BC-like methods; moreover, a vanilla combination of both actually hurts model performance. Under our framework, we study when BC is expected to help, and empirically validate our findings. Our work further bridges goal-reaching and generative modeling, illustrating the nuances and new pathways of extending the success of generative models to RL.  ( 2 min )

Meta reinforcement learning (Meta-RL) is an approach wherein the experience gained from solving a variety of tasks is distilled into a meta-policy. The meta-policy, when adapted over only a small (or just a single) number of steps, is able to perform near-optimally on a new, related task. However, a major challenge to adopting this approach to solve real-world problems is that they are often associated with sparse reward functions that only indicate whether a task is completed partially or fully. We consider the situation where some data, possibly generated by a sub-optimal agent, is available for each task. We then develop a class of algorithms entitled Enhanced Meta-RL using Demonstrations (EMRLD) that exploit this information even if sub-optimal to obtain guidance during training. We show how EMRLD jointly utilizes RL and supervised learning over the offline data to generate a meta-policy that demonstrates monotone performance improvements. We also develop a warm started variant called EMRLD-WS that is particularly efficient for sub-optimal demonstration data. Finally, we show that our EMRLD algorithms significantly outperform existing approaches in a variety of sparse reward environments, including that of a mobile robot.  ( 2 min )

Offline Reinforcement Learning has attracted much interest in solving the application challenge for traditional reinforcement learning. Offline reinforcement learning uses previously-collected datasets to train agents without any interaction. For addressing the overestimation of OOD (out-of-distribution) actions, conservative estimates give a low value for all inputs. Previous conservative estimation methods are usually difficult to avoid the impact of OOD actions on Q-value estimates. In addition, these algorithms usually need to lose some computational efficiency to achieve the purpose of conservative estimation. In this paper, we propose a simple conservative estimation method, double conservative estimates (DCE), which use two conservative estimation method to constraint policy. Our algorithm introduces V-function to avoid the error of in-distribution action while implicit achieving conservative estimation. In addition, our algorithm uses a controllable penalty term changing the degree of conservatism in training. We theoretically show how this method influences the estimation of OOD actions and in-distribution actions. Our experiment separately shows that two conservative estimation methods impact the estimation of all state-action. DCE demonstrates the state-of-the-art performance on D4RL.  ( 2 min )

The emerging meta- and multi-verse landscape is yet another step towards the more prevalent use of already ubiquitous online markets. In such markets, recommender systems play critical roles by offering items of interest to the users, thereby narrowing down a vast search space that comprises hundreds of thousands of products. Recommender systems are usually designed to learn common user behaviors and rely on them for inference. This approach, while effective, is oblivious to subtle idiosyncrasies that differentiate humans from each other. Focusing on this observation, we propose an architecture that relies on common patterns as well as individual behaviors to tailor its recommendations for each person. Simulations under a controlled environment show that our proposed model learns interpretable personalized user behaviors. Our empirical results on Nielsen Consumer Panel dataset indicate that the proposed approach achieves up to 27.9% performance improvement compared to the state-of-the-art.  ( 2 min )

This paper investigates the problem of minimizing the age-of-information (AoI) and transmit power consumption in a vehicular network, where a roadside unit (RSU) provides timely updates about a set of physical processes to vehicles. Each vehicle is interested in maintaining the freshness of its information status about one or more physical processes. A framework is proposed to optimize the decisions to unicast, multicast, broadcast, or not transmit updates to vehicles as well as power allocations to minimize the AoI and the RSU's power consumption over a time horizon. The formulated problem is a mixed-integer nonlinear programming problem (MINLP), thus a global optimal solution is difficult to achieve. In this context, we first develop an ant colony optimization (ACO) solution which provides near-optimal performance and thus serves as an efficient benchmark. Then, for real-time implementation, we develop a deep reinforcement learning (DRL) framework that captures the vehicles' demands and channel conditions in the state space and assigns processes to vehicles through dynamic unicast-multicast scheduling actions. Complexity analysis of the proposed algorithms is presented. Simulation results depict interesting trade-offs between AoI and power consumption as a function of the network parameters.  ( 2 min )

We initiate the study of quantum algorithms for optimizing approximately convex functions. Given a convex set ${\cal K}\subseteq\mathbb{R}^{n}$ and a function $F\colon\mathbb{R}^{n}\to\mathbb{R}$ such that there exists a convex function $f\colon\mathcal{K}\to\mathbb{R}$ satisfying $\sup_{x\in{\cal K}}|F(x)-f(x)|\leq \epsilon/n$, our quantum algorithm finds an $x^{*}\in{\cal K}$ such that $F(x^{*})-\min_{x\in{\cal K}} F(x)\leq\epsilon$ using $\tilde{O}(n^{3})$ quantum evaluation queries to $F$. This achieves a polynomial quantum speedup compared to the best-known classical algorithms. As an application, we give a quantum algorithm for zeroth-order stochastic convex bandits with $\tilde{O}(n^{5}\log^{2} T)$ regret, an exponential speedup in $T$ compared to the classical $\Omega(\sqrt{T})$ lower bound. Technically, we achieve quantum speedup in $n$ by exploiting a quantum framework of simulated annealing and adopting a quantum version of the hit-and-run walk. Our speedup in $T$ for zeroth-order stochastic convex bandits is due to a quadratic quantum speedup in multiplicative error of mean estimation.  ( 2 min )

Automated decision systems are increasingly used to take consequential decisions in problems such as job hiring and loan granting with the hope of replacing subjective human decisions with objective machine learning (ML) algorithms. ML-based decision systems, however, are found to be prone to bias which result in yet unfair decisions. Several notions of fairness have been defined in the literature to capture the different subtleties of this ethical and social concept (e.g. statistical parity, equal opportunity, etc.). Fairness requirements to be satisfied while learning models created several types of tensions among the different notions of fairness, but also with other desirable properties such as privacy and classification accuracy. This paper surveys the commonly used fairness notions and discusses the tensions that exist among them and with privacy and accuracy. Different methods to address the fairness-accuracy trade-off (classified into four approaches, namely, pre-processing, in-processing, post-processing, and hybrid) are reviewed. The survey is consolidated with experimental analysis carried out on fairness benchmark datasets to illustrate the relationship between fairness measures and accuracy on real-world scenarios.  ( 2 min )

We provide the first formal definition of reward hacking, a phenomenon where optimizing an imperfect proxy reward function, $\mathcal{\tilde{R}}$, leads to poor performance according to the true reward function, $\mathcal{R}$. We say that a proxy is unhackable if increasing the expected proxy return can never decrease the expected true return. Intuitively, it might be possible to create an unhackable proxy by leaving some terms out of the reward function (making it "narrower") or overlooking fine-grained distinctions between roughly equivalent outcomes, but we show this is usually not the case. A key insight is that the linearity of reward (in state-action visit counts) makes unhackability a very strong condition. In particular, for the set of all stochastic policies, two reward functions can only be unhackable if one of them is constant. We thus turn our attention to deterministic policies and finite sets of stochastic policies, where non-trivial unhackable pairs always exist, and establish necessary and sufficient conditions for the existence of simplifications, an important special case of unhackability. Our results reveal a tension between using reward functions to specify narrow tasks and aligning AI systems with human values.  ( 2 min )

With recent advancements in artificial intelligence, its applications can be seen in every aspect of humans' daily life. From voice assistants to mobile healthcare and autonomous driving, we rely on the performance of AI methods for many critical tasks; therefore, it is essential to assert the performance of models in proper means to prevent damage. One of the shortfalls of AI models in general, and deep machine learning in particular, is a drop in performance when faced with shifts in the distribution of data. Nonetheless, these shifts are always expected in real-world applications; thus, a field of study has emerged, focusing on detecting out-of-distribution data subsets and enabling a more comprehensive generalization. Furthermore, as many deep learning based models have achieved near-perfect results on benchmark datasets, the need to evaluate these models' reliability and trustworthiness for pushing towards real-world applications is felt more strongly than ever. This has given rise to a growing number of studies in the field of out-of-distribution detection and domain generalization, which begs the need for surveys that compare these studies from various perspectives and highlight their straightens and weaknesses. This paper presents a survey that, in addition to reviewing more than 70 papers in this field, presents challenges and directions for future works and offers a unifying look into various types of data shifts and solutions for better generalization.  ( 3 min )

Recent global growth in the interest of smart cities has led to trillions of dollars of investment toward research and development. These connected cities have the potential to create a symbiosis of technology and society and revolutionize the cost of living, safety, ecological sustainability, and quality of life of societies on a world-wide scale. Some key components of the smart city construct are connected smart grids, self-driving cars, federated learning systems, smart utilities, large-scale public transit, and proactive surveillance systems. While exciting in prospect, these technologies and their subsequent integration cannot be attempted without addressing the potential societal impacts of such a high degree of automation and data sharing. Additionally, the feasibility of coordinating so many disparate tasks will require a fast, extensible, unifying framework. To that end, we propose FaRO2, a completely reimagined successor to FaRO1, built from the ground up. FaRO2 affords all of the same functionality as its predecessor, serving as a unified biometric API harness that allows for seamless evaluation, deployment, and simple pipeline creation for heterogeneous biometric software. FaRO2 additionally provides a fully declarative capability for defining and coordinating custom machine learning and sensor pipelines, allowing the distribution of processes across otherwise incompatible hardware and networks. FaRO2 ultimately provides a way to quickly configure, hot-swap, and expand large coordinated or federated systems online without interruptions for maintenance. Because much of the data collected in a smart city contains Personally Identifying Information (PII), FaRO2 also provides built-in tools and layers to ensure secure and encrypted streaming, storage, and access of PII data across distributed systems.  ( 3 min )

In many contexts, simpler models are preferable to more complex models and the control of this model complexity is the goal for many methods in machine learning such as regularization, hyperparameter tuning and architecture design. In deep learning, it has been difficult to understand the underlying mechanisms of complexity control, since many traditional measures are not naturally suitable for deep neural networks. Here we develop the notion of geometric complexity, which is a measure of the variability of the model function, computed using a discrete Dirichlet energy. Using a combination of theoretical arguments and empirical results, we show that many common training heuristics such as parameter norm regularization, spectral norm regularization, flatness regularization, implicit gradient regularization, noise regularization and the choice of parameter initialization all act to control geometric complexity, providing a unifying framework in which to characterize the behavior of deep learning models.  ( 2 min )

Coarse graining (CG) enables the investigation of molecular properties for larger systems and at longer timescales than the ones attainable at the atomistic resolution. Machine learning techniques have been recently proposed to learn CG particle interactions, i.e. develop CG force fields. Graph representations of molecules and supervised training of a graph convolutional neural network architecture are used to learn the potential of mean force through a force matching scheme. In this work, the force acting on each CG particle is correlated to a learned representation of its local environment that goes under the name of SchNet, constructed via continuous filter convolutions. We explore the application of SchNet models to obtain a CG potential for liquid benzene, investigating the effect of model architecture and hyperparameters on the thermodynamic, dynamical, and structural properties of the simulated CG systems, reporting and discussing challenges encountered and future directions envisioned.  ( 2 min )

Among various sensors for assisted and autonomous driving systems, automotive radar has been considered as a robust and low-cost solution even in adverse weather or lighting conditions. With the recent development of radar technologies and open-sourced annotated data sets, semantic segmentation with radar signals has become very promising. However, existing methods are either computationally expensive or discard significant amounts of valuable information from raw 3D radar signals by reducing them to 2D planes via averaging. In this work, we introduce ERASE-Net, an Efficient RAdar SEgmentation Network to segment the raw radar signals semantically. The core of our approach is the novel detect-then-segment method for raw radar signals. It first detects the center point of each object, then extracts a compact radar signal representation, and finally performs semantic segmentation. We show that our method can achieve superior performance on radar semantic segmentation task compared to the state-of-the-art (SOTA) technique. Furthermore, our approach requires up to 20x less computational resources. Finally, we show that the proposed ERASE-Net can be compressed by 40% without significant loss in performance, significantly more than the SOTA network, which makes it a more promising candidate for practical automotive applications.  ( 2 min )

Due to the wide range of timescales that are present in macromolecular systems, hierarchical multiscale strategies are necessary for their computational study. Coarse-graining (CG) allows to establish a link between different system resolutions and provides the backbone for the development of robust multiscale simulations and analyses. The CG mapping process is typically system- and application-specific, and it relies on chemical intuition. In this work, we explored the application of a Machine Learning strategy, based on Variational Autoencoders, for the development of suitable mapping schemes from the atomistic to the coarse-grained space of molecules with increasing chemical complexity. An extensive evaluation of the effect of the model hyperparameters on the training process and on the final output was performed, and an existing method was extended with the definition of different loss functions and the implementation of a selection criterion that ensures physical consistency of the output. The relationship between the input feature choice and the reconstruction accuracy was analyzed, supporting the need to introduce rotational invariance into the system. Strengths and limitations of the approach, both in the mapping and in the backmapping steps, are highlighted and critically discussed.  ( 3 min )

Collaborative Filtering (CF) is a widely used technique which allows to leverage past users' preferences data to identify behavioural patterns and exploit them to predict custom recommendations. In this work, we illustrate our review of different CF techniques in the context of the Computational Intelligence Lab (CIL) CF project at ETH Z\"urich. After evaluating the performances of the individual models, we show that blending factorization-based and similarity-based approaches can lead to a significant error decrease (-9.4%) on the best-performing stand-alone model. Moreover, we propose a novel stochastic extension of a similarity model, SCSR, which consistently reduce the asymptotic complexity of the original algorithm.  ( 2 min )

Performance metrics for medical image segmentation models are used to measure agreement between the reference annotation and the prediction. A common set of metrics is used in the development of such models to make results more comparable. However, there is a mismatch between the distributions in public data sets and cases encountered in clinical practice. Many common metrics fail to measure the impact of this mismatch, especially for clinical data sets containing uncertain, small or empty reference annotation. Thus, models may not be validated for clinically meaningful agreement by such metrics. Dimensions of evaluating clinical value include independence from reference annotation volume size, consideration of uncertainty of reference annotations, reward of volumetric and/or location agreement and reward of correct classification of empty reference annotations. Unlike common public data sets, our in-house data set is more representative. It contains uncertain, small or empty reference annotations. We examine publicly available metrics on the predictions of a deep learning framework in order to identify for which settings common metrics provide clinical meaningful results. We compare to a public benchmark data set without uncertain, small or empty reference annotations. The code will be published.  ( 3 min )

The prediction of protein-ligand binding affinity is of great significance for discovering lead compounds in drug research. Facing this challenging task, most existing prediction methods rely on the topological and/or spatial structure of molecules and the local interactions while ignoring the multi-level inter-molecular interactions between proteins and ligands, which often lead to sub-optimal performance. To solve this issue, we propose a novel global-local interaction (GLI) framework to predict protein-ligand binding affinity. In particular, our GLI framework considers the inter-molecular interactions between proteins and ligands, which involve not only the high-energy short-range interactions between closed atoms but also the low-energy long-range interactions between non-bonded atoms. For each pair of protein and ligand, our GLI embeds the long-range interactions globally and aggregates local short-range interactions, respectively. Such a joint global-local interaction modeling strategy helps to improve prediction accuracy, and the whole framework is compatible with various neural network-based modules. Experiments demonstrate that our GLI framework outperforms state-of-the-art methods with simple neural network architectures and moderate computational costs.  ( 2 min )

A proper parametrization of state transition matrices of linear state-space models (SSMs) followed by standard nonlinearities enables them to efficiently learn representations from sequential data, establishing the state-of-the-art on a large series of long-range sequence modeling benchmarks. In this paper, we show that we can improve further when the structural SSM such as S4 is given by a linear liquid time-constant (LTC) state-space model. LTC neural networks are causal continuous-time neural networks with an input-dependent state transition module, which makes them learn to adapt to incoming inputs at inference. We show that by using a diagonal plus low-rank decomposition of the state transition matrix introduced in S4, and a few simplifications, the LTC-based structural state-space model, dubbed Liquid-S4, achieves the new state-of-the-art generalization across sequence modeling tasks with long-term dependencies such as image, text, audio, and medical time-series, with an average performance of 87.32% on the Long-Range Arena benchmark. On the full raw Speech Command recognition, dataset Liquid-S4 achieves 96.78% accuracy with a 30% reduction in parameter counts compared to S4. The additional gain in performance is the direct result of the Liquid-S4's kernel structure that takes into account the similarities of the input sequence samples during training and inference.  ( 2 min )

Increasing the layer number of on-chip photonic neural networks (PNNs) is essential to improve its model performance. However, the successively cascading of network hidden layers results in larger integrated photonic chip areas. To address this issue, we propose the optical neural ordinary differential equations (ON-ODE) architecture that parameterizes the continuous dynamics of hidden layers with optical ODE solvers. The ON-ODE comprises the PNNs followed by the photonic integrator and optical feedback loop, which can be configured to represent residual neural networks (ResNet) and recurrent neural networks with effectively reduced chip area occupancy. For the interference-based optoelectronic nonlinear hidden layer, the numerical experiments demonstrate that the single hidden layer ON-ODE can achieve approximately the same accuracy as the two-layer optical ResNet in image classification tasks. Besides, the ONODE improves the model classification accuracy for the diffraction-based all-optical linear hidden layer. The time-dependent dynamics property of ON-ODE is further applied for trajectory prediction with high accuracy.  ( 2 min )

Language models are pre-trained using large corpora of generic data like book corpus, common crawl and Wikipedia, which is essential for the model to understand the linguistic characteristics of the language. New studies suggest using Domain Adaptive Pre-training (DAPT) and Task-Adaptive Pre-training (TAPT) as an intermediate step before the final finetuning task. This step helps cover the target domain vocabulary and improves the model performance on the downstream task. In this work, we study the impact of training only the embedding layer on the model's performance during TAPT and task-specific finetuning. Based on our study, we propose a simple approach to make the intermediate step of TAPT for BERT-based models more efficient by performing selective pre-training of BERT layers. We show that training only the BERT embedding layer during TAPT is sufficient to adapt to the vocabulary of the target domain and achieve comparable performance. Our approach is computationally efficient, with 78\% fewer parameters trained during TAPT. The proposed embedding layer finetuning approach can also be an efficient domain adaptation technique.  ( 2 min )

Extraction of latent sources of complex stimuli is critical for making sense of the world. While the brain solves this blind source separation (BSS) problem continuously, its algorithms remain unknown. Previous work on biologically-plausible BSS algorithms assumed that observed signals are linear mixtures of statistically independent or uncorrelated sources, limiting the domain of applicability of these algorithms. To overcome this limitation, we propose novel biologically-plausible neural networks for the blind separation of potentially dependent/correlated sources. Differing from previous work, we assume some general geometric, not statistical, conditions on the source vectors allowing separation of potentially dependent/correlated sources. Concretely, we assume that the source vectors are sufficiently scattered in their domains which can be described by certain polytopes. Then, we consider recovery of these sources by the Det-Max criterion, which maximizes the determinant of the output correlation matrix to enforce a similar spread for the source estimates. Starting from this normative principle, and using a weighted similarity matching approach that enables arbitrary linear transformations adaptable by local learning rules, we derive two-layer biologically-plausible neural network algorithms that can separate mixtures into sources coming from a variety of source domains. We demonstrate that our algorithms outperform other biologically-plausible BSS algorithms on correlated source separation problems.  ( 3 min )

Most of today's computer vision pipelines are built around deep neural networks, where convolution operations require most of the generally high compute effort. The Winograd convolution algorithm computes convolutions with fewer MACs compared to the standard algorithm, reducing the operation count by a factor of 2.25x for 3x3 convolutions when using the version with 2x2-sized tiles $F_2$. Even though the gain is significant, the Winograd algorithm with larger tile sizes, i.e., $F_4$, offers even more potential in improving throughput and energy efficiency, as it reduces the required MACs by 4x. Unfortunately, the Winograd algorithm with larger tile sizes introduces numerical issues that prevent its use on integer domain-specific accelerators and higher computational overhead to transform input and output data between spatial and Winograd domains. To unlock the full potential of Winograd $F_4$, we propose a novel tap-wise quantization method that overcomes the numerical issues of using larger tiles, enabling integer-only inference. Moreover, we present custom hardware units that process the Winograd transformations in a power- and area-efficient way, and we show how to integrate such custom modules in an industrial-grade, programmable DSA. An extensive experimental evaluation on a large set of state-of-the-art computer vision benchmarks reveals that the tap-wise quantization algorithm makes the quantized Winograd $F_4$ network almost as accurate as the FP32 baseline. The Winograd-enhanced DSA achieves up to 1.85x gain in energy efficiency and up to 1.83x end-to-end speed-up for state-of-the-art segmentation and detection networks.  ( 3 min )

Social media has become the fulcrum of all forms of communication. Classifying social texts such as fake news, rumour, sarcasm, etc. has gained significant attention. The surface-level signals expressed by a social-text itself may not be adequate for such tasks; therefore, recent methods attempted to incorporate other intrinsic signals such as user behavior and the underlying graph structure. Oftentimes, the `public wisdom' expressed through the comments/replies to a social-text acts as a surrogate of crowd-sourced view and may provide us with complementary signals. State-of-the-art methods on social-text classification tend to ignore such a rich hierarchical signal. Here, we propose Hyphen, a discourse-aware hyperbolic spectral co-attention network. Hyphen is a fusion of hyperbolic graph representation learning with a novel Fourier co-attention mechanism in an attempt to generalise the social-text classification tasks by incorporating public discourse. We parse public discourse as an Abstract Meaning Representation (AMR) graph and use the powerful hyperbolic geometric representation to model graphs with hierarchical structure. Finally, we equip it with a novel Fourier co-attention mechanism to capture the correlation between the source post and public discourse. Extensive experiments on four different social-text classification tasks, namely detecting fake news, hate speech, rumour, and sarcasm, show that Hyphen generalises well, and achieves state-of-the-art results on ten benchmark datasets. We also employ a sentence-level fact-checked and annotated dataset to evaluate how Hyphen is capable of producing explanations as analogous evidence to the final prediction.  ( 3 min )

So, I get this classification report right. I get precision, recall and F1 score (and some average which I don't know what to do about yet). But when I look at ML papers, they only report one metric per performance measure. I have a binary classification problem. Which numbers from my report should I report in my final analysis? like when I want to report my model performance using recall, how can I report this with one number when I got two? .... lol submitted by /u/javagarbagecollector [link] [comments]  ( 88 min )

I have an idea on how to use AI to get more dates on dating apps, the instructions are below, any new ideas are welcome. 1 - First download a pre-trained language prediction model (like GPT-2, that is available for free on hugging face). ​ 2 - Then fine-tune the model on a dataset of “informal” chats between two people, like a dataset of Tinder messages or something. ​ 3 - Create an classifier encoder that receives a sentence as input and predicts the latent representation of the sentence for sentiment analysis. ​ 4 - Now, suppose you are talking to someone on a dating app, every time the person sends you a message, you feed the message into the program, the goal is to simulate potential conversations using the language prediction model, and use the classifier encoder to “clip” what you want, for example, you could optimize the probability of the other person saying something with the meaning of “omg you are so sweet”, and the language prediction model will figure out automatically what you have to say to maximize the probability of the other person saying this. ​ 5 - That is it, of course, you have to analyze what character the model is creating while talking to the other person, so on a in person date, you could keep the same personality. submitted by /u/QLaHPD [link] [comments]  ( 105 min )

What is the purpose of training LSTM/RNN models for speech to text on phrases like from LibreSpeech? What if the user says a single word? Wouldn’t the model return the closest phrase as the output, giving wildly wrong output? submitted by /u/Proof_Hyena4223 [link] [comments]  ( 90 min )

Just released a new way to create synthetic media using AI Voices. Speech-to-Speech by Resemble AI will allow you to control your AI voice with any audio file/mic input you provide it with. Here's a quick video showing how it works: https://youtu.be/cXtgdsWw1xI https://www.resemble.ai/speech-to-speech/ ​ https://preview.redd.it/btxe8w0vegq91.png?width=2560&format=png&auto=webp&s=f54f791edc4d1a5b0b330932c9deacd1f75e645d submitted by /u/resembleai [link] [comments]  ( 103 min )

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You'll have to excuse me if this is a daft question. I'm quite new to ML, but a thought occured to me about how a ML model might be able to assist in developing new undiscovered architectures. So I thought I'd ask. Tried to find some examples on Google but was returned very limited information. The overall things I'm getting at is, could a ML model design itself a more efficient architecture? Thanks. submitted by /u/Fibonacci1664 [link] [comments]  ( 90 min )

Hello, i am looking for a way to visualize the State Trajectory of a learned Kalman-Filter. A State is a Multivariate Gaussian with Diagonal Covariance Matrix. The Dimension of the Gaussian States is d > 10. I want to compare the States of fully observed trajectories with predicted trajectories. Are there any ways to visualize those trajectories in a meaningful way? Thank you in advance! submitted by /u/Metallfrosch [link] [comments]  ( 88 min )

Say my target with classes `A, B, C, D, E` is `[0, 1, 1, 0, 0]`. And my output layer is of B x N where N is the number of classes. How do I use Categorical Cross Entropy for this? submitted by /u/sarmientoj24 [link] [comments]  ( 106 min )

Tested on Nvidia A10G, took 15-20 mins to train. We can finally run on colab notebooks. Colab: https://colab.research.google.com/github/ShivamShrirao/diffusers/blob/main/examples/dreambooth/DreamBooth\_Stable\_Diffusion.ipynb Code: https://github.com/ShivamShrirao/diffusers/blob/main/examples/dreambooth/ More details https://github.com/huggingface/diffusers/pull/554#issuecomment-1259522002 https://preview.redd.it/y19vz2ecpeq91.png?width=949&format=png&auto=webp&s=8e5c8f0bf0b4b6dd1ae92fb6df5713d9bb094096 submitted by /u/0x00groot [link] [comments]  ( 89 min )

I would like to study how these modern image generators work, and Midjourney really caught my eye. As far as I know, DALL-E 2 uses a combination of transformers and diffusion networks, which is quite fascinating, but is it the same with Midjourney? It's not a GAN, right? Or is it? Is there any published work for it similar to DALL-E 2? submitted by /u/narkoface [link] [comments]  ( 91 min )

Hi there, it's Lewis here from the open-source team at Hugging Face 🤗 I'm excited to share new research on few-shot learning with language models that we've been working on with Intel 🧑‍🔬. We've also open-source a library that let's you train our models with a few lines of code 👉: https://github.com/huggingface/setfit tl;dr we found a way to apply pretrained Sentence Transformers in regimes where one has little labeled data. The method is illustrated below, and involves a two-stage training process: ​ Fine-tune the Sentence Transformer with a a few labeled examples (e.g. 8 per class) using a contrastive loss Freeze the weights of the tuned Sentence Transformer and train a simple classification head (e.g. logistic regression) https://preview.redd.it/lw6o49vcrcq91.png?width=971&format=png&auto=webp&s=a8ab0de8a4c44e9cc8f015184e57e1a64fbb8e97 Surprisingly, this simple technique outperforms GPT-3 on the RAFT benchmark, despite using models that are 350x smaller! This means you can now do few-shot learning in around 30s on Google Colab (or even your CPU if are willing to wait a few minutes) 🤓 For more details, check out our blog post: https://huggingface.co/blog/setfit submitted by /u/lewtun [link] [comments]  ( 90 min )

I have a pre-computed co-occurence matrix in shape of [NxN] where N is the number of classes I want to utilize this info on the last layer of my multi-label classification of size [B, N]. Is dot product the best way to do it? How do I use dot product in Tensor with [B, N] and [N, N]? submitted by /u/sarmientoj24 [link] [comments]  ( 88 min )

I've been using the Stellargraph library consistently. Mostly for the GraphSAGE implementation. But it's been two years since their last release and the previous release (1.2.1) requires a version of Python that is either 3.6.x, 3.7.x, or 3.8.x, which is frustrating now that we're on 3.10.x. Are there actively developed libraries that support GraphSAGE and work well with Keras? submitted by /u/UnknownBinary [link] [comments]  ( 107 min )

Hi. I'm currently working on a text classification task in the e-commerce domain where the objective is to receive a product name as input and output an item category. I've noticed that there are many cases where input texts aren't particularly informative (e.g., some are simply product codes like FALLSW12302) and would like to filter these samples out. I'm currently testing two models on this task - one that performs more classical classification and another that casts this as a text generation problem and uses sequence-to-sequence generation to predict labels) - and I've thought of using the confidence score or perplexity of the model predictions. However, I'm wondering if there are any better methods to proceed with this. If not I may resort to creating my own binary classification dataset and training a classifier on that to filter out samples. Thanks. submitted by /u/Seankala [link] [comments]  ( 90 min )

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Hello Redditors! I'm very excited to announce the launch of Speech-to-Speech, which will allow you to control your AI voice with any audio file/mic input you provide. Let me know your thoughts. https://youtu.be/cXtgdsWw1xI https://www.resemble.ai/speech-to-speech/ https://preview.redd.it/k0lgqp6yfgq91.png?width=2560&format=png&auto=webp&s=7dc1c05e5477b201091e32d3e8217a47cf1d6f63 submitted by /u/resembleai [link] [comments]  ( 92 min )

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Could someone please point me where I could learn how to implement a model with long term memory and the ability to not go off topic? I was thinking of making a database that stores every input and do a round check targeting specific words before the output. This might seem to generic but that's the only solution I could come up ​ Example of what I mean by this is: user: My favourite color is red, what is yours? <--- Now this is stored in a database model: Red is my favourite color too * after chatting for a while the user will test the model memory * user: what is my favourite color? model: your favourite color is red <-- This is the desired output, or at least one of it's forms ​ Of course it is not limited to the user input but as well as what facts the model might say. submitted by /u/MeNootka [link] [comments]  ( 87 min )

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Hey, Is there anysoftware to upscale all photos on my iPhone(good quality photos can be skipped). submitted by /u/ArgyleDiamonds [link] [comments]  ( 87 min )

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A couple of my friends and I are looking into changing the text of an absolutely massive literary work to include regional pronunciations/slang/idioms, and we figure it would be much, much easier to go about this with an AI program rather than doing it by hand. What would be the easiest, cheapest way to get an AI to recognize and replace text this way? submitted by /u/GLaDOSunit [link] [comments]  ( 87 min )

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I want to scrape all of my personal reddit history and other ramblings through time and train a chat bot on them. Any suggestions? I'd prefer something that runs locally, but if there is something already put together on colab and wouldn't be hindered by using free tpus that would work as well. I'd prefer to stay away from any type of api to token access system, however. I appreciate any guidance or consideration. submitted by /u/a4mula [link] [comments]  ( 87 min )

Are you afraid of the security and the safety of the apps? If yes! Then let me tell you that this is a common concern as everyone as everyone is looking for a fast, safe, and flexible app as security is the major concern that comes in mind of startups or entrepreneurs. The post Need a Fast, Safe & Flexible App? Go for Cloud-Based Mobile Apps appeared first on Data Science Central.  ( 21 min )

The CCPA entitles consumers to know what personal information is being collected and how it is further shared to be used by third parties. Moreover, it is well within the consumers’ rights to stop any business from sharing their data and remove it completely. The post 7 Key Steps to Comply with California Consumer Privacy Act (CCPA) appeared first on Data Science Central.  ( 22 min )

The Cloud has been a dominant paradigm over the last decade but is now attracting regulatory scrutiny.  The post Cloudy Skies: The Rise of Federated Containers and Scrutiny appeared first on Data Science Central.  ( 19 min )

The IOT security product industry promises to become a safe road for digital commercialization. IOT security products safeguard networks and interconnected devices. It caters to various business needs such as data encryption, authentication and subsequent, regulatory compliance. The post Internet of Things Security: Safeguarding Connected Devices and Networks in IoT Era appeared first on Data Science Central.  ( 19 min )

In 1974, two distinct but interestingly similar milestones were achieved that would greatly affect the lives of data engineers: the Rubik’s Cube was invented, and IBM released the first relational database. Since its original rise in the 1980s, the Rubik’s Cube has become the world’s most popular puzzle toy. The post The Similarities of Solving Data Problems and Rubik’s Cubes appeared first on Data Science Central.  ( 23 min )

Blockchain experts are in demand. Due to its multiple uses, it needs people handling this new technology. Like any other great profession, these aren't for everyone. You must have or acquire talents by becoming a certified blockchain professional and give reasons to recruiters to hire you. The post What Careers are Available After Blockchain Certifications? appeared first on Data Science Central.  ( 20 min )

A few months ago, Pakistan also faced one of the worst heatwaves in the world, with at one stage, the top 5 of the ten hottest places on earth were in Pakistan. The post Pakistan Serves As a Great Reminder for Climate Justice appeared first on Data Science Central.  ( 20 min )

Before embarking on the data profiling exercise, an analyst must prepare by going through a data profiling analysis. The post 10 steps to data profiling for successful data discovery: Part II appeared first on Data Science Central.  ( 21 min )

I love this infographic recently floating around LinkedIn.  Sorry, don’t know to whom to give credit, but it does provide an interesting depiction of how senior management thinks AI works and the realities of what’s required to make AI work. The post Point – Counterpoint on Why Organizations Suck at AI appeared first on Data Science Central.  ( 22 min )

Intuitive Machine Learning with focus on explainable AI, human-friendly intelligence, powerful visualizations and applications. By Vincent Granville Ph.D, published in September 2022. PDF format, 156 pages. Version 1.0 with Python code. The book is available here. This book covers the foundations of machine learning, with modern approaches to solving complex problems. Emphasis is on scalability, automation,… Read More »New Book: Intuitive Machine Learning The post New Book: Intuitive Machine Learning appeared first on Data Science Central.  ( 19 min )

This is an interview with Dr. Jans Aasman, CEO of Franz, Inc. and designer of the Allegrograph knowledge graph engine. In this interview, we cover everything from the role of Lisp (and Lispers), the versatility of RDF hypergraphs, the value of Allegrograph, and the future of artificial intelligence, machine learning and inferential logic in the graph space. The post Allegrograph: From Lisp to SHACL appeared first on Data Science Central.  ( 18 min )

Organizations must opt for a more centralized approach to automate their privacy functions to reduce risk and build transparency and trust with their consumers. The post Privacy Center: The Key to Meeting Data Privacy Obligations appeared first on Data Science Central.  ( 21 min )

submitted by /u/gwern [link] [comments]  ( 87 min )

Let's say I want to find target words/information in some structured document texts (like receipts), by using the MAB method. My idea is to treat each word as a bandit, with the target words having high rewards. During training phase the feedback is given by annotated data (which words are our target words), and during online learning phase it is provided by human checking. Can this work? submitted by /u/dannytty [link] [comments]  ( 87 min )

I have been trying to solve Connect 4 several times now, but have succeeded yet. I tried several variants of DQN, but it seems like the performence plateaus at the level of an intermediate player. I have not implemented MCTS yet and am wondering, if that could be the issue.. would be really nice if someone had succeeded here and could share his code with me :) submitted by /u/spadel_ [link] [comments]  ( 104 min )

currently i am doing this # list of envs num_envs = 3 envs = [lambda: NeuroRL4(label_name) for i in range(num_envs)] ​ # Vec Env envs = DummyVecEnv(envs) model = DDPG("MlpPolicy", envs, action_noise=action_noise, verbose=1) model.learn(total_timesteps=1, log_interval=1) model.save("sb3_envs_ddpg_model") ​ But its giving eror that you must use only one env when doing episodic training. submitted by /u/Historical-Stock-750 [link] [comments]  ( 88 min )

TSIA Is that proved empirically better? or is there any theory related to that? submitted by /u/ad26kr [link] [comments]  ( 87 min )

Amazon Kendra is a highly accurate and simple-to-use intelligent search service powered by machine learning (ML). Amazon Kendra offers a suite of data source connectors to simplify the process of ingesting and indexing your content, wherever it resides. Valuable data in organizations is stored in both structured and unstructured repositories. An enterprise search solution should […]  ( 7 min )

The proliferation of machine learning (ML) across a wide range of use cases is becoming prevalent in every industry. However, this outpaces the increase in the number of ML practitioners who have traditionally been responsible for implementing these technical solutions to realize business outcomes. In today’s enterprise, there is a need for machine learning to […]  ( 9 min )

Amazon SageMaker Pipelines allows data scientists and machine learning (ML) engineers to automate training workflows, which helps you create a repeatable process to orchestrate model development steps for rapid experimentation and model retraining. You can automate the entire model build workflow, including data preparation, feature engineering, model training, model tuning, and model validation, and catalog […]  ( 13 min )

Data scientists often train their models locally and look for a proper hosting service to deploy their models. Unfortunately, there’s no one set mechanism or guide to deploying pre-trained models to the cloud. In this post, we look at deploying trained models to Amazon SageMaker hosting to reduce your deployment time. SageMaker is a fully […]  ( 7 min )

A machine-learning method finds patterns of health decline in ALS, informing future clinical trial designs and mechanism discovery. The technique also extends to Alzheimer’s and Parkinson’s.  ( 8 min )

The MIT-Pillar AI Collective will cultivate prospective entrepreneurs and drive innovation.  ( 5 min )

Posted by Srivatsan Krishnan, Student Researcher, and Aleksandra Faust, Senior Staff Research Scientist, Google Research, Brain Team Deep reinforcement learning (RL) continues to make great strides in solving real-world sequential decision-making problems such as balloon navigation, nuclear physics, robotics, and games. Despite its promise, one of its limiting factors is long training times. While the current approach to speed up RL training on complex and difficult tasks leverages distributed training scaling up to hundreds or even thousands of computing nodes, it still requires the use of significant hardware resources which makes RL training expensive, while increasing its environmental impact. However, recent work [1, 2] indicates that performance optimizations on existing hardware …  ( 23 min )

Content writers are responsible for producing websites and blogs that provide readers with information on a specific topic. Their job is to…  ( 12 min )

submitted by /u/kenickh [link] [comments]  ( 87 min )

Yesterday I found a statistics textbook for geologists [1] for $1 at a library book sale. When I thumbed through the book an image similar to the one below caught my eye. This image approximates Figure 15.2 in [1], The nodes represent six factors of the thickness of rock formations and the edges are labeled […] Visualizing correlations with graphs first appeared on John D. Cook.  ( 5 min )

Unexplainable black-box models create scenarios where anomalies cause deleterious responses, thus creating unacceptable risks. These risks have motivated the field of eXplainable Artificial Intelligence (XAI) to improve trust by evaluating local interpretability in black-box neural networks. Unfortunately, the ground truth is unavailable for the model's decision, so evaluation is limited to qualitative assessment. Further, interpretability may lead to inaccurate conclusions about the model or a false sense of trust. We propose to improve XAI from the vantage point of the user's trust by exploring a black-box model's latent feature space. We present an approach, ProtoShotXAI, that uses a Prototypical few-shot network to explore the contrastive manifold between nonlinear features of different classes. A user explores the manifold by perturbing the input features of a query sample and recording the response for a subset of exemplars from any class. Our approach is the first locally interpretable XAI model that can be extended to, and demonstrated on, few-shot networks. We compare ProtoShotXAI to the state-of-the-art XAI approaches on MNIST, Omniglot, and ImageNet to demonstrate, both quantitatively and qualitatively, that ProtoShotXAI provides more flexibility for model exploration. Finally, ProtoShotXAI also demonstrates novel explainabilty and detectabilty on adversarial samples.  ( 3 min )

Molecular machine learning (ML) has proven important for tackling various molecular problems, including the prediction of protein-drug interactions and blood brain-barrier permeability. Since relatively recently, so-called graph neural networks (GNNs) have been implemented for molecular ML, showing comparable or superior performance to descriptor-based approaches. Although various tools and packages exist to apply GNNs for molecular ML, a new GNN package, named MolGraph, was developed in this work with the motivation to create GNNs highly compatible with the TensorFlow and Keras application programming interface (API). As MolGraph focuses specifically and exclusively on molecular ML, a chemistry module was implemented to accommodate the generation of small molecular graphs $\unicode{x2014}$ which could then be inputted to the GNNs for molecular ML. To validate the GNNs, they were benchmarked against the datasets of MoleculeNet, as well as three chromatographic retention time datasets. The results on these benchmarks show that the GNNs performed as expected. Additionally, the GNNs proved useful for molecular identification and improved interpretability of chromatographic retention time data. MolGraph is available at https://github.com/akensert/molgraph.  ( 3 min )

This paper studies a framework, projected fixed-point method, for graph matching. The framework contains a class of popular graph matching algorithms, including graduated assignment (GA), integer projected fixed-point method (IPFP) and doubly stochastic projected fixed-point method (DSPFP). We propose an adaptive strategy to tune the step size parameter in this framework. Such a strategy improves these algorithms in efficiency and accuracy. Further, it guarantees the convergence of the underlying algorithms. Some preliminary analysis based on distance geometry seems to support that the optimal step size parameter has a high probability of 1 when graphs are fully connected. Secondly, it is observed that a popular projection method, softassign, is sensitive to graphs' cardinality(size). We proposed a dynamical softassign algorithm that is robust to graphs' cardinality. Combining the adaptive step size and the dynamical softassign, we propose a novel graph matching algorithm: the adaptive projected fixed-point method with dynamical softassign. Various experiments demonstrate that the proposed algorithm is significantly faster than several other state-of-art algorithms with no loss of accuracy.  ( 2 min )

Personalized federated learning considers learning models unique to each client in a heterogeneous network. The resulting client-specific models have been purported to improve metrics such as accuracy, fairness, and robustness in federated networks. However, despite a plethora of work in this area, it remains unclear: (1) which personalization techniques are most effective in various settings, and (2) how important personalization truly is for realistic federated applications. To better answer these questions, we propose Motley, a benchmark for personalized federated learning. Motley consists of a suite of cross-device and cross-silo federated datasets from varied problem domains, as well as thorough evaluation metrics for better understanding the possible impacts of personalization. We establish baselines on the benchmark by comparing a number of representative personalized federated learning methods. These initial results highlight strengths and weaknesses of existing approaches, and raise several open questions for the community. Motley aims to provide a reproducible means with which to advance developments in personalized and heterogeneity-aware federated learning, as well as the related areas of transfer learning, meta-learning, and multi-task learning.  ( 3 min )

Sleep is particularly important to the health of infants, children, and adolescents, and sleep scoring is the first step to accurate diagnosis and treatment of potentially life-threatening conditions. But pediatric sleep is severely under-researched compared to adult sleep in the context of machine learning for health, and sleep scoring algorithms developed for adults usually perform poorly on infants. Here, we present the first automated sleep scoring results on a recent large-scale pediatric sleep study dataset that was collected during standard clinical care. We develop a transformer-based supervised learning model that learns to classify five sleep stages from millions of multi-channel electroencephalogram (EEG) sleep epochs with 78% overall accuracy. Further, we conduct an in-depth analysis of the model performance based on patient demographics and EEG channels. The results point to the growing need for machine learning research on pediatric sleep.  ( 2 min )

Rationale is defined as a subset of input features that best explains or supports the prediction by machine learning models. Rationale identification has improved the generalizability and interpretability of neural networks on vision and language data. In graph applications such as molecule and polymer property prediction, identifying representative subgraph structures named as graph rationales plays an essential role in the performance of graph neural networks. Existing graph pooling and/or distribution intervention methods suffer from lack of examples to learn to identify optimal graph rationales. In this work, we introduce a new augmentation operation called environment replacement that automatically creates virtual data examples to improve rationale identification. We propose an efficient framework that performs rationale-environment separation and representation learning on the real and augmented examples in latent spaces to avoid the high complexity of explicit graph decoding and encoding. Comparing against recent techniques, experiments on seven molecular and four polymer real datasets demonstrate the effectiveness and efficiency of the proposed augmentation-based graph rationalization framework.  ( 2 min )

Despite significant progress on multi-agent reinforcement learning (MARL) in recent years, coordination in complex domains remains a challenge. Work in MARL often focuses on solving tasks where agents interact with all other agents and entities in the environment; however, we observe that real-world tasks are often composed of several isolated instances of local agent interactions (subtasks), and each agent can meaningfully focus on one subtask to the exclusion of all else in the environment. In these composite tasks, successful policies can often be decomposed into two levels of decision-making: agents are allocated to specific subtasks and each agent acts productively towards their assigned subtask alone. This decomposed decision making provides a strong structural inductive bias, significantly reduces agent observation spaces, and encourages subtask-specific policies to be reused and composed during training, as opposed to treating each new composition of subtasks as unique. We introduce ALMA, a general learning method for taking advantage of these structured tasks. ALMA simultaneously learns a high-level subtask allocation policy and low-level agent policies. We demonstrate that ALMA learns sophisticated coordination behavior in a number of challenging environments, outperforming strong baselines. ALMA's modularity also enables it to better generalize to new environment configurations. Finally, we find that while ALMA can integrate separately trained allocation and action policies, the best performance is obtained only by training all components jointly. Our code is available at https://github.com/shariqiqbal2810/ALMA  ( 3 min )

The volume of the distribution of weight sets associated with a loss value may be the source of implicit regularization from overparameterization due to the phenomenon of contracting volume with increasing dimensions for geometric figures demonstrated by hyperspheres. We introduce the geometric regularization conjecture and extract to an explanation for the double descent phenomenon by considering a similar property resulting from shrinking intrinsic dimensionality of the distribution of potential weight set updates available along training path, where if that distribution retracts across a volume verses dimensionality curve peak when approaching the global minima we could expect geometric regularization to re-emerge. We illustrate how data fidelity representational complexity may influence model capacity double descent interpolation thresholds. The existence of epoch and model capacity double descent curves originating from different geometric forms may imply universality of closed n-manifolds having dimensionally adjusted n-sphere volumetric correspondence.  ( 2 min )

Training on web-scale data can take months. But most computation and time is wasted on redundant and noisy points that are already learnt or not learnable. To accelerate training, we introduce Reducible Holdout Loss Selection (RHO-LOSS), a simple but principled technique which selects approximately those points for training that most reduce the model's generalization loss. As a result, RHO-LOSS mitigates the weaknesses of existing data selection methods: techniques from the optimization literature typically select 'hard' (e.g. high loss) points, but such points are often noisy (not learnable) or less task-relevant. Conversely, curriculum learning prioritizes 'easy' points, but such points need not be trained on once learned. In contrast, RHO-LOSS selects points that are learnable, worth learning, and not yet learnt. RHO-LOSS trains in far fewer steps than prior art, improves accuracy, and speeds up training on a wide range of datasets, hyperparameters, and architectures (MLPs, CNNs, and BERT). On the large web-scraped image dataset Clothing-1M, RHO-LOSS trains in 18x fewer steps and reaches 2% higher final accuracy than uniform data shuffling.  ( 3 min )

This paper introduces a new synthesis-based defense algorithm for counteracting with a varieties of adversarial attacks developed for challenging the performance of the cutting-edge speech-to-text transcription systems. Our algorithm implements a Sobolev-based GAN and proposes a novel regularizer for effectively controlling over the functionality of the entire generative model, particularly the discriminator network during training. Our achieved results upon carrying out numerous experiments on the victim DeepSpeech, Kaldi, and Lingvo speech transcription systems corroborate the remarkable performance of our defense approach against a comprehensive range of targeted and non-targeted adversarial attacks.  ( 2 min )

This paper studies a natural generalization of the problem of minimizing a univariate convex function $f$ by querying its values sequentially. At each time-step $t$, the optimizer can invest a budget $b_t$ in a query point $X_t$ of their choice to obtain a fuzzy evaluation of $f$ at $X_t$ whose accuracy depends on the amount of budget invested in $X_t$ across times. This setting is motivated by the minimization of objectives whose values can only be determined approximately through lengthy or expensive computations. We design an any-time parameter-free algorithm called Dyadic Search, for which we prove near-optimal optimization error guarantees. As a byproduct of our analysis, we show that the classical dependence on the global Lipschitz constant in the error bounds is an artifact of the granularity of the budget. Finally, we illustrate our theoretical findings with numerical simulations.  ( 2 min )

Alzheimer's Disease (AD) is the most common neurodegenerative disorder with one of the most complex pathogeneses, making effective and clinically actionable decision support difficult. The objective of this study was to develop a novel multimodal deep learning framework to aid medical professionals in AD diagnosis. We present a Multimodal Alzheimer's Disease Diagnosis framework (MADDi) to accurately detect the presence of AD and mild cognitive impairment (MCI) from imaging, genetic, and clinical data. MADDi is novel in that we use cross-modal attention, which captures interactions between modalities - a method not previously explored in this domain. We perform multi-class classification, a challenging task considering the strong similarities between MCI and AD. We compare with previous state-of-the-art models, evaluate the importance of attention, and examine the contribution of each modality to the model's performance. MADDi classifies MCI, AD, and controls with 96.88% accuracy on a held-out test set. When examining the contribution of different attention schemes, we found that the combination of cross-modal attention with self-attention performed the best, and no attention layers in the model performed the worst, with a 7.9% difference in F1-Scores. Our experiments underlined the importance of structured clinical data to help machine learning models contextualize and interpret the remaining modalities. Extensive ablation studies showed that any multimodal mixture of input features without access to structured clinical information suffered marked performance losses. This study demonstrates the merit of combining multiple input modalities via cross-modal attention to deliver highly accurate AD diagnostic decision support.  ( 3 min )

Learning from Demonstration (LfD) approaches empower end-users to teach robots novel tasks via demonstrations of the desired behaviors, democratizing access to robotics. However, current LfD frameworks are not capable of fast adaptation to heterogeneous human demonstrations nor the large-scale deployment in ubiquitous robotics applications. In this paper, we propose a novel LfD framework, Fast Lifelong Adaptive Inverse Reinforcement learning (FLAIR). Our approach (1) leverages learned strategies to construct policy mixtures for fast adaptation to new demonstrations, allowing for quick end-user personalization; (2) distills common knowledge across demonstrations, achieving accurate task inference; and (3) expands its model only when needed in lifelong deployments, maintaining a concise set of prototypical strategies that can approximate all behaviors via policy mixtures. We empirically validate that FLAIR achieves adaptability (i.e., the robot adapts to heterogeneous, user-specific task preferences), efficiency (i.e., the robot achieves sample-efficient adaptation), and scalability (i.e., the model grows sublinearly with the number of demonstrations while maintaining high performance). FLAIR surpasses benchmarks across three continuous control tasks with an average 57% improvement in policy returns and an average 78% fewer episodes required for demonstration modeling using policy mixtures. Finally, we demonstrate the success of FLAIR in a real-robot table tennis task.  ( 2 min )

Data privacy is a central problem for embodied agents that can perceive the environment, communicate with humans, and act in the real world. While helping humans complete tasks, the agent may observe and process sensitive information of users, such as house environments, human activities, etc. In this work, we introduce privacy-preserving embodied agent learning for the task of Vision-and-Language Navigation (VLN), where an embodied agent navigates house environments by following natural language instructions. We view each house environment as a local client, which shares nothing other than local updates with the cloud server and other clients, and propose a novel federated vision-and-language navigation (FedVLN) framework to protect data privacy during both training and pre-exploration. Particularly, we propose a decentralized training strategy to limit the data of each client to its local model training and a federated pre-exploration method to do partial model aggregation to improve model generalizability to unseen environments. Extensive results on R2R and RxR datasets show that under our FedVLN framework, decentralized VLN models achieve comparable results with centralized training while protecting seen environment privacy, and federated pre-exploration significantly outperforms centralized pre-exploration while preserving unseen environment privacy.  ( 3 min )

In this paper, we present a real-world application of online learning with expert advice to the field of Space Operations, testing our theory on real-life data coming from the Copernicus Sentinel-6 satellite. We show that in Spacecraft Memory Dump Optimization, a lightweight Follow-The-Leader algorithm leads to an increase in performance of over $60\%$ when compared to traditional techniques.  ( 2 min )

The minimum sum-of-squares clustering (MSSC), or k-means type clustering, has been recently extended to exploit prior knowledge on the cardinality of each cluster. Such knowledge is used to increase performance as well as solution quality. In this paper, we propose an exact approach based on the branch-and-cut technique to solve the cardinality-constrained MSSC. For the lower bound routine, we use the semidefinite programming (SDP) relaxation recently proposed by Rujeerapaiboon et al. [SIAM J. Optim. 29(2), 1211-1239, (2019)]. However, this relaxation can be used in a branch-and-cut method only for small-size instances. Therefore, we derive a new SDP relaxation that scales better with the instance size and the number of clusters. In both cases, we strengthen the bound by adding polyhedral cuts. Benefiting from a tailored branching strategy which enforces pairwise constraints, we reduce the complexity of the problems arising in the children nodes. For the upper bound, instead, we present a local search procedure that exploits the solution of the SDP relaxation solved at each node. Computational results show that the proposed algorithm globally solves, for the first time, real-world instances of size 10 times larger than those solved by state-of-the-art exact methods.  ( 3 min )

In distributed or federated optimization and learning, communication between the different computing units is often the bottleneck and gradient compression is widely used to reduce the number of bits sent within each communication round of iterative methods. There are two classes of compression operators and separate algorithms making use of them. In the case of unbiased random compressors with bounded variance (e.g., rand-k), the DIANA algorithm of Mishchenko et al. (2019), which implements a variance reduction technique for handling the variance introduced by compression, is the current state of the art. In the case of biased and contractive compressors (e.g., top-k), the EF21 algorithm of Richt\'arik et al. (2021), which instead implements an error-feedback mechanism, is the current state of the art. These two classes of compression schemes and algorithms are distinct, with different analyses and proof techniques. In this paper, we unify them into a single framework and propose a new algorithm, recovering DIANA and EF21 as particular cases. Our general approach works with a new, larger class of compressors, which has two parameters, the bias and the variance, and includes unbiased and biased compressors as particular cases. This allows us to inherit the best of the two worlds: like EF21 and unlike DIANA, biased compressors, like top-k, whose good performance in practice is recognized, can be used. And like DIANA and unlike EF21, independent randomness at the compressors allows to mitigate the effects of compression, with the convergence rate improving when the number of parallel workers is large. This is the first time that an algorithm with all these features is proposed. We prove its linear convergence under certain conditions. Our approach takes a step towards better understanding of two so-far distinct worlds of communication-efficient distributed learning.  ( 3 min )

Offline reinforcement learning (RL) provides a promising direction to exploit the massive amount of offline data for complex decision-making tasks. Due to the distribution shift issue, current offline RL algorithms are generally designed to be conservative in value estimation and action selection. However, such conservatism can impair the robustness of learned policies when encountering observation deviation under realistic conditions, such as sensor errors and adversarial attacks. To trade off robustness and conservatism, we propose Robust Offline Reinforcement Learning (RORL) with a novel conservative smoothing technique. In RORL, we explicitly introduce regularization on the policy and the value function for states near the dataset, as well as additional conservative value estimation on these OOD states. Theoretically, we show RORL enjoys a tighter suboptimality bound than recent theoretical results in linear MDPs. We demonstrate that RORL can achieve state-of-the-art performance on the general offline RL benchmark and is considerably robust to adversarial observation perturbations.  ( 2 min )

Recently, hyperspectral imaging (HSI) has attracted increasing research attention, especially for the ones based on a coded aperture snapshot spectral imaging (CASSI) system. Existing deep HSI reconstruction models are generally trained on paired data to retrieve original signals upon 2D compressed measurements given by a particular optical hardware mask in CASSI, during which the mask largely impacts the reconstruction performance and could work as a "model hyperparameter" governing on data augmentations. This mask-specific training style will lead to a hardware miscalibration issue, which sets up barriers to deploying deep HSI models among different hardware and noisy environments. To address this challenge, we introduce mask uncertainty for HSI with a complete variational Bayesian learning treatment and explicitly model it through a mask decomposition inspired by real hardware. Specifically, we propose a novel Graph-based Self-Tuning (GST) network to reason uncertainties adapting to varying spatial structures of masks among different hardware. Moreover, we develop a bilevel optimization framework to balance HSI reconstruction and uncertainty estimation, accounting for the hyperparameter property of masks. Extensive experimental results and model discussions validate the effectiveness (over 33/30 dB) of the proposed GST method under two miscalibration scenarios and demonstrate a highly competitive performance compared with the state-of-the-art well-calibrated methods. Our code and pre-trained model are available at https://github.com/Jiamian-Wang/mask_uncertainty_spectral_SCI  ( 3 min )

We analyze feature learning in infinite-width neural networks trained with gradient flow through a self-consistent dynamical field theory. We construct a collection of deterministic dynamical order parameters which are inner-product kernels for hidden unit activations and gradients in each layer at pairs of time points, providing a reduced description of network activity through training. These kernel order parameters collectively define the hidden layer activation distribution, the evolution of the neural tangent kernel, and consequently output predictions. We show that the field theory derivation recovers the recursive stochastic process of infinite-width feature learning networks obtained from Yang and Hu (2021) with Tensor Programs . For deep linear networks, these kernels satisfy a set of algebraic matrix equations. For nonlinear networks, we provide an alternating sampling procedure to self-consistently solve for the kernel order parameters. We provide comparisons of the self-consistent solution to various approximation schemes including the static NTK approximation, gradient independence assumption, and leading order perturbation theory, showing that each of these approximations can break down in regimes where general self-consistent solutions still provide an accurate description. Lastly, we provide experiments in more realistic settings which demonstrate that the loss and kernel dynamics of CNNs at fixed feature learning strength is preserved across different widths on a CIFAR classification task.

Machine Learning permeates many industries, which brings new source of benefits for companies. However within the life insurance industry, Machine Learning is not widely used in practice as over the past years statistical models have shown their efficiency for risk assessment. Thus insurers may face difficulties to assess the value of the artificial intelligence. Focusing on the modification of the life insurance industry over time highlights the stake of using Machine Learning for insurers and benefits that it can bring by unleashing data value. This paper reviews traditional actuarial methodologies for survival modeling and extends them with Machine Learning techniques. It points out differences with regular machine learning models and emphasizes importance of specific implementations to face censored data with machine learning models family.In complement to this article, a Python library has been developed. Different open-source Machine Learning algorithms have been adjusted to adapt the specificities of life insurance data, namely censoring and truncation. Such models can be easily applied from this SCOR library to accurately model life insurance risks.

In an extant population, how much information do extant individuals provide on the pedigree of their ancestors? Recent work by Kim, Mossel, Ramnarayan and Turner (2020) studied this question under a number of simplifying assumptions, including random mating, fixed length inheritance blocks and sufficiently large founding population. They showed that under these conditions if the average number of offspring is a sufficiently large constant, then it is possible to recover a large fraction of the pedigree structure and genetic content by an algorithm they named REC-GEN. We are interested in studying the performance of REC-GEN on simulated data generated according to the model. As a first step, we improve the running time of the algorithm. However, we observe that even the faster version of the algorithm does not do well in any simulations in recovering the pedigree beyond 2 generations. We claim that this is due to the inbreeding present in any setting where the algorithm can be run, even on simulated data. To support the claim we show that a main step of the algorithm, called ancestral reconstruction, performs accurately in a idealized setting with no inbreeding but performs poorly in random mating populations. To overcome the poor behavior of REC-GEN we introduce a Belief-Propagation based heuristic that accounts for the inbreeding and performs much better in our simulations.

In this work, we provide a characterization of the feature-learning process in two-layer ReLU networks trained by gradient descent on the logistic loss following random initialization. We consider data with binary labels that are generated by an XOR-like function of the input features. We permit a constant fraction of the training labels to be corrupted by an adversary. We show that, although linear classifiers are no better than random guessing for the distribution we consider, two-layer ReLU networks trained by gradient descent achieve generalization error close to the label noise rate. We develop a novel proof technique that shows that at initialization, the vast majority of neurons function as random features that are only weakly correlated with useful features, and the gradient descent dynamics 'amplify' these weak, random features to strong, useful features.

In numerous applications, for instance in predictive maintenance, there is a pression to predict events ahead of time with as much accuracy as possible while not delaying the decision unduly. This translates in the optimization of a trade-off between earliness and accuracy of the decisions, that has been the subject of research for time series of finite length and with a unique label. And this has led to powerful algorithms for Early Classification of Time Series (ECTS). This paper, for the first time, investigates such a trade-off when events of different classes occur in a streaming fashion, with no predefined end. In the Early Classification in Open Time Series problem (ECOTS), the task is to predict events, i.e. their class and time interval, at the moment that optimizes the accuracy vs. earliness trade-off. Interestingly, we find that ECTS algorithms can be sensibly adapted in a principled way to this new problem. We illustrate our methodology by transforming two state-of-the-art ECTS algorithms for the ECOTS scenario. Among the wide variety of applications that this new approach opens up, we develop a predictive maintenance use case that optimizes alarm triggering times, thus demonstrating the power of this new approach.  ( 3 min )

Model attributions are important in deep neural networks as they aid practitioners in understanding the models, but recent studies reveal that attributions can be easily perturbed by adding imperceptible noise to the input. The non-differentiable Kendall's rank correlation is a key performance index for attribution protection. In this paper, we first show that the expected Kendall's rank correlation is positively correlated to cosine similarity and then indicate that the direction of attribution is the key to attribution robustness. Based on these findings, we explore the vector space of attribution to explain the shortcomings of attribution defense methods using $\ell_p$ norm and propose integrated gradient regularizer (IGR), which maximizes the cosine similarity between natural and perturbed attributions. Our analysis further exposes that IGR encourages neurons with the same activation states for natural samples and the corresponding perturbed samples, which is shown to induce robustness to gradient-based attribution methods. Our experiments on different models and datasets confirm our analysis on attribution protection and demonstrate a decent improvement in adversarial robustness.  ( 2 min )

Recently, the seminal algorithms AlphaGo and AlphaZero have started a new era in game learning and deep reinforcement learning. While the achievements of AlphaGo and AlphaZero - playing Go and other complex games at super human level - are truly impressive, these architectures have the drawback that they require high computational resources. Many researchers are looking for methods that are similar to AlphaZero, but have lower computational demands and are thus more easily reproducible. In this paper, we pick an important element of AlphaZero - the Monte Carlo Tree Search (MCTS) planning stage - and combine it with temporal difference (TD) learning agents. We wrap MCTS for the first time around TD n-tuple networks and we use this wrapping only at test time to create versatile agents that keep at the same time the computational demands low. We apply this new architecture to several complex games (Othello, ConnectFour, Rubik's Cube) and show the advantages achieved with this AlphaZero-inspired MCTS wrapper. In particular, we present results that this agent is the first one trained on standard hardware (no GPU or TPU) to beat the very strong Othello program Edax up to and including level 7 (where most other learning-from-scratch algorithms could only defeat Edax up to level 2).  ( 3 min )

In this paper, we analyze the impact of data freshness on real-time supervised learning, where a neural network is trained to infer a time-varying target (e.g., the position of the vehicle in front) based on features (e.g., video frames) observed at a sensing node (e.g., camera or lidar). One might expect that the performance of real-time supervised learning degrades monotonically as the feature becomes stale. Using an information-theoretic analysis, we show that this is true if the feature and target data sequence can be closely approximated as a Markov chain; it is not true if the data sequence is far from Markovian. Hence, the prediction error of real-time supervised learning is a function of the Age of Information (AoI), where the function could be non-monotonic. Several experiments are conducted to illustrate the monotonic and non-monotonic behaviors of the prediction error. To minimize the inference error in real-time, we propose a new "selection-from-buffer" model for sending the features, which is more general than the "generate-at-will" model used in earlier studies. By using Gittins and Whittle indices, low-complexity scheduling strategies are developed to minimize the inference error, where a new connection between the Gittins index theory and Age of Information (AoI) minimization is discovered. These scheduling results hold (i) for minimizing general AoI functions (monotonic or non-monotonic) and (ii) for general feature transmission time distributions. Data-driven evaluations are presented to illustrate the benefits of the proposed scheduling algorithms.  ( 3 min )

We study a decision-maker's problem of finding optimal monetary incentive schemes when faced with agents whose participation decisions (stochastically) depend on the incentive they receive. Our focus is on policies constrained to fulfill two fairness properties that preclude outcomes wherein different groups of agents experience different treatment on average. We formulate the problem as a high-dimensional stochastic optimization problem, and study it through the use of a closely related deterministic variant. We show that the optimal static solution to this deterministic variant is asymptotically optimal for the dynamic problem under fairness constraints. Though solving for the optimal static solution gives rise to a non-convex optimization problem, we uncover a structural property that allows us to design a tractable, fast-converging heuristic policy. Traditional schemes for stakeholder retention ignore fairness constraints; indeed, the goal in these is to use differentiation to incentivize repeated engagement with the system. Our work (i) shows that even in the absence of explicit discrimination, dynamic policies may unintentionally discriminate between agents of different types by varying the type composition of the system, and (ii) presents an asymptotically optimal policy to avoid such discriminatory outcomes.

Recent years have seen a growth in user-centric applications that require effective knowledge transfer across tasks in the low-data regime. An example is personalization, where a pretrained system is adapted by learning on small amounts of labeled data belonging to a specific user. This setting requires high accuracy under low computational complexity, therefore the Pareto frontier of accuracy vs. adaptation cost plays a crucial role. In this paper we push this Pareto frontier in the few-shot image classification setting with a key contribution: a new adaptive block called Contextual Squeeze-and-Excitation (CaSE) that adjusts a pretrained neural network on a new task to significantly improve performance with a single forward pass of the user data (context). We use meta-trained CaSE blocks to conditionally adapt the body of a network and a fine-tuning routine to adapt a linear head, defining a method called UpperCaSE. UpperCaSE achieves a new state-of-the-art accuracy relative to meta-learners on the 26 datasets of VTAB+MD and on a challenging real-world personalization benchmark (ORBIT), narrowing the gap with leading fine-tuning methods with the benefit of orders of magnitude lower adaptation cost.

The classical Mercer's theorem claims that a continuous positive definite kernel $K({\mathbf x}, {\mathbf y})$ on a compact set can be represented as $\sum_{i=1}^\infty \lambda_i\phi_i({\mathbf x})\phi_i({\mathbf y})$ where $\{(\lambda_i,\phi_i)\}$ are eigenvalue-eigenvector pairs of the corresponding integral operator. This infinite representation is known to converge uniformly to the kernel $K$. We estimate the speed of this convergence in terms of the decay rate of eigenvalues and demonstrate that for $2m$ times differentiable kernels the first $N$ terms of the series approximate $K$ as $\mathcal{O}\big((\sum_{i=N+1}^\infty\lambda_i)^{\frac{m}{m+n}}\big)$ or $\mathcal{O}\big((\sum_{i=N+1}^\infty\lambda^2_i)^{\frac{m}{2m+n}}\big)$. Finally, we demonstrate some applications of our results to a spectral charaterization of integral operators with continuous roots and other powers.

Machine learning (ML) algorithms are showing a growing trend in helping the scientific communities across different disciplines and institutions to address large and diverse data problems. However, many available ML tools are programmatically demanding and computationally costly. The MLExchange project aims to build a collaborative platform equipped with enabling tools that allow scientists and facility users who do not have a profound ML background to use ML and computational resources in scientific discovery. At the high level, we are targeting a full user experience where managing and exchanging ML algorithms, workflows, and data are readily available through web applications. Since each component is an independent container, the whole platform or its individual service(s) can be easily deployed at servers of different scales, ranging from a personal device (laptop, smart phone, etc.) to high performance clusters (HPC) accessed (simultaneously) by many users. Thus, MLExchange renders flexible using scenarios -- users could either access the services and resources from a remote server or run the whole platform or its individual service(s) within their local network.

Unsupervised lifelong learning refers to the ability to learn over time while memorizing previous patterns without supervision. Previous works assumed strong prior knowledge about the incoming data (e.g., knowing the class boundaries) which can be impossible to obtain in complex and unpredictable environments. In this paper, motivated by real-world scenarios, we formally define the online unsupervised lifelong learning problem with class-incremental streaming data, which is non-iid and single-pass. The problem is more challenging than existing lifelong learning problems due to the absence of labels and prior knowledge. To address the issue, we propose Self-Supervised ContrAstive Lifelong LEarning (SCALE) which extracts and memorizes knowledge on-the-fly. SCALE is designed around three major components: a pseudo-supervised contrastive loss, a self-supervised forgetting loss, and an online memory update for uniform subset selection. All three components are designed to work collaboratively to maximize learning performance. Our loss functions leverage pairwise similarity thus remove the dependency on supervision or prior knowledge. We perform comprehensive experiments of SCALE under iid and four non-iid data streams. SCALE outperforms the best state-of-the-art algorithm on all settings with improvements of up to 3.83%, 2.77% and 5.86% kNN accuracy on CIFAR-10, CIFAR-100 and SubImageNet datasets.

We present a machine learning framework that blends image super-resolution technologies with passive, scalar transport in the level-set method. Here, we investigate whether we can compute on-the-fly, data-driven corrections to minimize numerical viscosity in the coarse-mesh evolution of an interface. The proposed system's starting point is the semi-Lagrangian formulation. And, to reduce numerical dissipation, we introduce an error-quantifying multilayer perceptron. The role of this neural network is to improve the numerically estimated surface trajectory. To do so, it processes localized level-set, velocity, and positional data in a single time frame for select vertices near the moving front. Our main contribution is thus a novel machine-learning-augmented transport algorithm that operates alongside selective redistancing and alternates with conventional advection to keep the adjusted interface trajectory smooth. Consequently, our procedure is more efficient than full-scan convolutional-based applications because it concentrates computational effort only around the free boundary. Also, we show through various tests that our strategy is effective at counteracting both numerical diffusion and mass loss. In simple advection problems, for example, our method can achieve the same precision as the baseline scheme at twice the resolution but at a fraction of the cost. Similarly, our hybrid technique can produce feasible solidification fronts for crystallization processes. On the other hand, tangential shear flows and highly deforming simulations can precipitate bias artifacts and inference deterioration. Likewise, stringent design velocity constraints can limit our solver's application to problems involving rapid interface changes. In the latter cases, we have identified several opportunities to enhance robustness without forgoing our approach's basic concept.

Large-scale neural networks possess considerable expressive power. They are well-suited for complex learning tasks in industrial applications. However, large-scale models pose significant challenges for training under the current Federated Learning (FL) paradigm. Existing approaches for efficient FL training often leverage model parameter dropout. However, manipulating individual model parameters is not only inefficient in meaningfully reducing the communication overhead when training large-scale FL models, but may also be detrimental to the scaling efforts and model performance as shown by recent research. To address these issues, we propose the Federated Opportunistic Block Dropout (FedOBD) approach. The key novelty is that it decomposes large-scale models into semantic blocks so that FL participants can opportunistically upload quantized blocks, which are deemed to be significant towards training the model, to the FL server for aggregation. Extensive experiments evaluating FedOBD against five state-of-the-art approaches based on multiple real-world datasets show that it reduces the overall communication overhead by more than 70% compared to the best performing baseline approach, while achieving the highest test accuracy. To the best of our knowledge, FedOBD is the first approach to perform dropout on FL models at the block level rather than at the individual parameter level.

Modal split prediction in transportation networks has the potential to support network operators in managing traffic congestion and improving transit service reliability. We focus on the problem of hourly prediction of the fraction of travelers choosing one mode of transportation over another using high-dimensional travel time data. We use logistic regression as base model and employ various regularization techniques for variable selection to prevent overfitting and resolve multicollinearity issues. Importantly, we interpret the prediction accuracy results with respect to the inherent variability of modal splits and travelers' aggregate responsiveness to changes in travel time. By visualizing model parameters, we conclude that the subset of segments found important for predictive accuracy changes from hour-to-hour and include segments that are topologically central and/or highly congested. We apply our approach to the San Francisco Bay Area freeway and rapid transit network and demonstrate superior prediction accuracy and interpretability of our method compared to pre-specified variable selection methods.

Activation compressed training~(ACT) has been shown to be a promising way to reduce the memory cost of training deep neural networks~(DNNs). However, existing work of ACT relies on searching for optimal bit-width during DNN training to reduce the quantization noise, which makes the procedure complicated and less transparent. To this end, we propose a simple and effective method to compress DNN training. Our method is motivated by an instructive observation: \emph{DNN backward propagation mainly utilizes the low-frequency component~(LFC) of the activation maps, while the majority of memory is for caching the high-frequency component~(HFC) during the training}. This indicates the HFC of activation maps is highly redundant and compressible during DNN training, which inspires our proposed Dual Activation Precision~(DIVISION). During the training, DIVISION preserves the high-precision copy of LFC and compresses the HFC into a light-weight copy with low numerical precision. This can significantly reduce the memory cost without negatively affecting the precision of backward propagation such that DIVISION maintains competitive model accuracy. Experimental results show DIVISION achieves over $10\times$ compression of activation maps, and significantly higher training throughput than state-of-the-art ACT methods, without loss of model accuracy.

Robust Reinforcement Learning (RL) focuses on improving performances under model errors or adversarial attacks, which facilitates the real-life deployment of RL agents. Robust Adversarial Reinforcement Learning (RARL) is one of the most popular frameworks for robust RL. However, most of the existing literature models RARL as a zero-sum simultaneous game with Nash equilibrium as the solution concept, which could overlook the sequential nature of RL deployments, produce overly conservative agents, and induce training instability. In this paper, we introduce a novel hierarchical formulation of robust RL - a general-sum Stackelberg game model called RRL-Stack - to formalize the sequential nature and provide extra flexibility for robust training. We develop the Stackelberg Policy Gradient algorithm to solve RRL-Stack, leveraging the Stackelberg learning dynamics by considering the adversary's response. Our method generates challenging yet solvable adversarial environments which benefit RL agents' robust learning. Our algorithm demonstrates better training stability and robustness against different testing conditions in the single-agent robotics control and multi-agent highway merging tasks.

We propose a new learning framework that captures the tiered structure of many real-world user-interaction applications, where the users can be divided into two groups based on their different tolerance on exploration risks and should be treated separately. In this setting, we simultaneously maintain two policies $\pi^{\text{O}}$ and $\pi^{\text{E}}$: $\pi^{\text{O}}$ ("O" for "online") interacts with more risk-tolerant users from the first tier and minimizes regret by balancing exploration and exploitation as usual, while $\pi^{\text{E}}$ ("E" for "exploit") exclusively focuses on exploitation for risk-averse users from the second tier utilizing the data collected so far. An important question is whether such a separation yields advantages over the standard online setting (i.e., $\pi^{\text{E}}=\pi^{\text{O}}$) for the risk-averse users. We individually consider the gap-independent vs.~gap-dependent settings. For the former, we prove that the separation is indeed not beneficial from a minimax perspective. For the latter, we show that if choosing Pessimistic Value Iteration as the exploitation algorithm to produce $\pi^{\text{E}}$, we can achieve a constant regret for risk-averse users independent of the number of episodes $K$, which is in sharp contrast to the $\Omega(\log K)$ regret for any online RL algorithms in the same setting, while the regret of $\pi^{\text{O}}$ (almost) maintains its online regret optimality and does not need to compromise for the success of $\pi^{\text{E}}$.

We propose VRL3, a powerful data-driven framework with a simple design for solving challenging visual deep reinforcement learning (DRL) tasks. We analyze a number of major obstacles in taking a data-driven approach, and present a suite of design principles, novel findings, and critical insights about data-driven visual DRL. Our framework has three stages: in stage 1, we leverage non-RL datasets (e.g. ImageNet) to learn task-agnostic visual representations; in stage 2, we use offline RL data (e.g. a limited number of expert demonstrations) to convert the task-agnostic representations into more powerful task-specific representations; in stage 3, we fine-tune the agent with online RL. On a set of challenging hand manipulation tasks with sparse reward and realistic visual inputs, compared to the previous SOTA, VRL3 achieves an average of 780% better sample efficiency. And on the hardest task, VRL3 is 1220% more sample efficient (2440% when using a wider encoder) and solves the task with only 10% of the computation. These significant results clearly demonstrate the great potential of data-driven deep reinforcement learning.

Classical streaming algorithms operate under the (not always reasonable) assumption that the input stream is fixed in advance. Recently, there is a growing interest in designing robust streaming algorithms that provide provable guarantees even when the input stream is chosen adaptively as the execution progresses. We propose a new framework for robust streaming that combines techniques from two recently suggested frameworks by Hassidim et al. [NeurIPS 2020] and by Woodruff and Zhou [FOCS 2021]. These recently suggested frameworks rely on very different ideas, each with its own strengths and weaknesses. We combine these two frameworks into a single hybrid framework that obtains the ``best of both worlds'', thereby solving a question left open by Woodruff and Zhou.

The ability of Variational Autoencoders (VAEs) to learn disentangled representations has made them popular for practical applications. However, their behaviour is not yet fully understood. For example, the questions of when they can provide disentangled representations, or suffer from posterior collapse are still areas of active research. Despite this, there are no layerwise comparisons of the representations learned by VAEs, which would further our understanding of these models. In this paper, we thus look into the internal behaviour of VAEs using representational similarity techniques. Specifically, using the CKA and Procrustes similarities, we found that the encoders' representations are learned long before the decoders', and this behaviour is independent of hyperparameters, learning objectives, and datasets. Moreover, the encoders' representations in all but the mean and variance layers are similar across hyperparameters and learning objectives.

Existing work on fairness typically focuses on making known machine learning algorithms fairer. Fair variants of classification, clustering, outlier detection and other styles of algorithms exist. However, an understudied area is the topic of auditing an algorithm's output to determine fairness. Existing work has explored the two group classification problem for binary protected status variables using standard definitions of statistical parity. Here we build upon the area of auditing by exploring the multi-group setting under more complex definitions of fairness.

Most machine learning (ML) methods assume that the data used in the training phase comes from the target population. However, in practice one often faces dataset shift, which, if not properly taken into account, may decrease the predictive performance of the ML models. In general, if the practitioner knows which type of shift is taking place -- e.g., covariate shift or label shift -- they may apply transfer learning methods to obtain better predictions. Unfortunately, current methods for detecting shift are only designed to detect specific types of shift or cannot formally test their presence. We introduce a general and unified framework that gives insights on how to improve prediction methods by detecting the presence of different types of shift and quantifying how strong they are. Our approach can be used for any data type (tabular/image/text) and both for classification and regression tasks. Moreover, it uses formal hypotheses tests that controls false alarms. We illustrate how our framework is useful in practice using both artificial and real datasets, including an example of how our framework leads to insights that indeed improve the predictive power of a supervised model. Our package for dataset shift detection can be found in https://github.com/felipemaiapolo/detectshift.

Graph Neural Networks (GNNs) have emerged as powerful tools to encode graph-structured data. Due to their broad applications, there is an increasing need to develop tools to explain how GNNs make decisions given graph-structured data. Existing learning-based GNN explanation approaches are task-specific in training and hence suffer from crucial drawbacks. Specifically, they are incapable of producing explanations for a multitask prediction model with a single explainer. They are also unable to provide explanations in cases where the GNN is trained in a self-supervised manner, and the resulting representations are used in future downstream tasks. To address these limitations, we propose a Task-Agnostic GNN Explainer (TAGE) that is independent of downstream models and trained under self-supervision with no knowledge of downstream tasks. TAGE enables the explanation of GNN embedding models with unseen downstream tasks and allows efficient explanation of multitask models. Our extensive experiments show that TAGE can significantly speed up the explanation efficiency by using the same model to explain predictions for multiple downstream tasks while achieving explanation quality as good as or even better than current state-of-the-art GNN explanation approaches. Our code is pubicly available as part of the DIG library at https://github.com/divelab/DIG/tree/main/dig/xgraph/TAGE/.

This study achieved bidirectional translation between descriptions and actions using small paired data from different modalities. The ability to mutually generate descriptions and actions is essential for robots to collaborate with humans in their daily lives, which generally requires a large dataset that maintains comprehensive pairs of both modality data. However, a paired dataset is expensive to construct and difficult to collect. To address this issue, this study proposes a two-stage training method for bidirectional translation. In the proposed method, we train recurrent autoencoders (RAEs) for descriptions and actions with a large amount of non-paired data. Then, we finetune the entire model to bind their intermediate representations using small paired data. Because the data used for pre-training do not require pairing, behavior-only data or a large language corpus can be used. We experimentally evaluated our method using a paired dataset consisting of motion-captured actions and descriptions. The results showed that our method performed well, even when the amount of paired data to train was small. The visualization of the intermediate representations of each RAE showed that similar actions were encoded in a clustered position and the corresponding feature vectors were well aligned.

Controlling artificial agents from visual sensory data is an arduous task. Reinforcement learning (RL) algorithms can succeed in this but require large amounts of interactions between the agent and the environment. To alleviate the issue, unsupervised RL proposes to employ self-supervised interaction and learning, for adapting faster to future tasks. Yet, whether current unsupervised strategies improve generalization capabilities is still unclear, especially in visual control settings. In this work, we design an effective unsupervised RL strategy for data-efficient visual control. First, we show that world models pre-trained with data collected using unsupervised RL can facilitate adaptation for future tasks. Then, we analyze several design choices to adapt efficiently, effectively reusing the agents' pre-trained components, and learning and planning in imagination, with our hybrid planner, which we dub Dyna-MPC. By combining the findings of a large-scale empirical study, we establish an approach that strongly improves performance on the Unsupervised RL Benchmark, requiring 20$\times$ less data to match the performance of supervised methods. The approach also demonstrates robust performance on the Real-Word RL benchmark, hinting that the approach generalizes to noisy environments.

Selecting a default feature encoding strategy for gradient boosted learning may consider metrics of training duration and achieved predictive performance associated with the feature representations. The Automunge library for dataframe preprocessing offers a default of binarization for categoric features and z-score normalization for numeric. The presented study sought to validate those defaults by way of benchmarking on a series of diverse data sets by encoding variations with tuned gradient boosted learning. We found that on average our chosen defaults were top performers both from a tuning duration and a model performance standpoint. Another key finding was that one hot encoding did not perform in a manner consistent with suitability to serve as a categoric default in comparison to categoric binarization. We present here these and further benchmarks.

As modern problems such as autonomous driving, control of robotic components, and medical diagnostics have become increasingly difficult to solve analytically, data-driven decision-making has seen a large gain in interest. Where there are problems with more dimensions of complexity than can be understood by people, data-driven solutions are a strong option. Many of these methods belong to a subdivision of machine learning known as reinforcement learning. Unfortunately, data-driven models often come with uncertainty in how they will perform in the worst of scenarios. Since the solutions are not derived analytically many times, these models will fail unpredictably. In fields such as autonomous driving and medicine, the consequences of these failures could be catastrophic. Various methods are being explored to resolve this issue and one of them is known as adversarial learning. It pits two models against each other by having one model optimize its goals as the opposite of the other model's goals. This type of training has the potential to find models which perform reliably in complex and high stakes settings, although it is not certain when this type of training will work. The goal is to gain insight about when these types of models will reach stable solutions.

We focus on an unloading problem, typical of the logistics sector, modeled as a sequential pick-and-place task. In this type of task, modern machine learning techniques have shown to work better than classic systems since they are more adaptable to stochasticity and better able to cope with large uncertainties. More specifically, supervised and imitation learning have achieved outstanding results in this regard, with the shortcoming of requiring some form of supervision which is not always obtainable for all settings. On the other hand, reinforcement learning (RL) requires much milder form of supervision but still remains impracticable due to its inefficiency. In this paper, we propose and theoretically motivate a novel Unsupervised Reward Shaping algorithm from expert's observations which relaxes the level of supervision required by the agent and works on improving RL performance in our task.

This research provides a novel framework to estimate the economic, environmental, and social values of electrifying public transit buses, for cities across the world, based on open-source data. Electric buses are a compelling candidate to replace diesel buses for the environmental and social benefits. However, the state-of-art models to evaluate the value of bus electrification are limited in applicability because they require granular and bespoke data on bus operation that can be difficult to procure. Our valuation tool uses General Transit Feed Specification, a standard data format used by transit agencies worldwide, to provide high-level guidance on developing a prioritization strategy for electrifying a bus fleet. We develop physics-informed machine learning models to evaluate the energy consumption, the carbon emissions, the health impacts, and the total cost of ownership for each transit route. We demonstrate the scalability of our tool with a case study of the bus lines in the Greater Boston and Milan metropolitan areas.

Understanding emerging behaviors of reinforcement learning (RL) agents may be difficult since such agents are often trained in complex environments using highly complex decision making procedures. This has given rise to a variety of approaches to explainability in RL that aim to reconcile discrepancies that may arise between the behavior of an agent and the behavior that is anticipated by an observer. Most recent approaches have relied either on domain knowledge, that may not always be available, on an analysis of the agent's policy, or on an analysis of specific elements of the underlying environment, typically modeled as a Markov Decision Process (MDP). Our key claim is that even if the underlying MDP is not fully known (e.g., the transition probabilities have not been accurately learned) or is not maintained by the agent (i.e., when using model-free methods), it can nevertheless be exploited to automatically generate explanations. For this purpose, we suggest using formal MDP abstractions and transforms, previously used in the literature for expediting the search for optimal policies, to automatically produce explanations. Since such transforms are typically based on a symbolic representation of the environment, they may represent meaningful explanations for gaps between the anticipated and actual agent behavior. We formally define this problem, suggest a class of transforms that can be used for explaining emergent behaviors, and suggest methods that enable efficient search for an explanation. We demonstrate the approach on a set of standard benchmarks.

Medical imaging is crucial in modern clinics to guide the diagnosis and treatment of diseases. Medical image reconstruction is one of the most fundamental and important components of medical imaging, whose major objective is to acquire high-quality medical images for clinical usage at the minimal cost and risk to the patients. Mathematical models in medical image reconstruction or, more generally, image restoration in computer vision, have been playing a prominent role. Earlier mathematical models are mostly designed by human knowledge or hypothesis on the image to be reconstructed, and we shall call these models handcrafted models. Later, handcrafted plus data-driven modeling started to emerge which still mostly relies on human designs, while part of the model is learned from the observed data. More recently, as more data and computation resources are made available, deep learning based models (or deep models) pushed the data-driven modeling to the extreme where the models are mostly based on learning with minimal human designs. Both handcrafted and data-driven modeling have their own advantages and disadvantages. One of the major research trends in medical imaging is to combine handcrafted modeling with deep modeling so that we can enjoy benefits from both approaches. The major part of this article is to provide a conceptual review of some recent works on deep modeling from the unrolling dynamics viewpoint. This viewpoint stimulates new designs of neural network architectures with inspirations from optimization algorithms and numerical differential equations. Given the popularity of deep modeling, there are still vast remaining challenges in the field, as well as opportunities which we shall discuss at the end of this article.

We study the $K$-armed dueling bandit problem, a variation of the traditional multi-armed bandit problem in which feedback is obtained in the form of pairwise comparisons. Previous learning algorithms have focused on the $\textit{fully adaptive}$ setting, where the algorithm can make updates after every comparison. The "batched" dueling bandit problem is motivated by large-scale applications like web search ranking and recommendation systems, where performing sequential updates may be infeasible. In this work, we ask: $\textit{is there a solution using only a few adaptive rounds that matches the asymptotic regret bounds of the best sequential algorithms for $K$-armed dueling bandits?}$ We answer this in the affirmative $\textit{under the Condorcet condition}$, a standard setting of the $K$-armed dueling bandit problem. We obtain asymptotic regret of $O(K^2\log^2(K)) + O(K\log(T))$ in $O(\log(T))$ rounds, where $T$ is the time horizon. Our regret bounds nearly match the best regret bounds known in the fully sequential setting under the Condorcet condition. Finally, in computational experiments over a variety of real-world datasets, we observe that our algorithm using $O(\log(T))$ rounds achieves almost the same performance as fully sequential algorithms (that use $T$ rounds).

Distributed machine learning enables scalability and computational offloading, but requires significant levels of communication. Consequently, communication efficiency in distributed learning settings is an important consideration, especially when the communications are wireless and battery-driven devices are employed. In this paper we develop a censoring-based heavy ball (CHB) method for distributed learning in a server-worker architecture. Each worker self-censors unless its local gradient is sufficiently different from the previously transmitted one. The significant practical advantages of the HB method for learning problems are well known, but the question of reducing communications has not been addressed. CHB takes advantage of the HB smoothing to eliminate reporting small changes, and provably achieves a linear convergence rate equivalent to that of the classical HB method for smooth and strongly convex objective functions. The convergence guarantee of CHB is theoretically justified for both convex and nonconvex cases. In addition we prove that, under some conditions, at least half of all communications can be eliminated without any impact on convergence rate. Extensive numerical results validate the communication efficiency of CHB on both synthetic and real datasets, for convex, nonconvex, and nondifferentiable cases. Given a target accuracy, CHB can significantly reduce the number of communications compared to existing algorithms, achieving the same accuracy without slowing down the optimization process.

Classically, the mechanical response of materials is described through constitutive models, often in the form of constrained ordinary differential equations. These models have a very limited number of parameters, yet, they are extremely efficient in reproducing complex responses observed in experiments. Additionally, in their discretized form, they are computationally very efficient, often resulting in a simple algebraic relation, and therefore they have been extensively used within large-scale explicit and implicit finite element models. However, it is very challenging to formulate new constitutive models, particularly for materials with complex microstructures such as composites. A recent trend in constitutive modeling leverages complex neural network architectures to construct complex material responses where a constitutive model does not yet exist. Whilst very accurate, they suffer from two deficiencies. First, they are interpolation models and often do poorly in extrapolation. Second, due to their complex architecture and numerous parameters, they are inefficient to be used as a constitutive model within a large-scale finite element model. In this study, we propose a novel approach based on the physics-informed learning machines for the characterization and discovery of constitutive models. Unlike data-driven constitutive models, we leverage foundations of elastoplasticity theory as regularization terms in the total loss function to find parametric constitutive models that are also theoretically sound. We demonstrate that our proposed framework can efficiently identify the underlying constitutive model describing different datasets from the von Mises family.

Exploration is critical for deep reinforcement learning in complex environments with high-dimensional observations and sparse rewards. To address this problem, recent approaches proposed to leverage intrinsic rewards to improve exploration, such as novelty-based exploration and prediction-based exploration. However, many intrinsic reward modules require sophisticated structures and representation learning, resulting in prohibitive computational complexity and unstable performance. In this paper, we propose Rewarding Episodic Visitation Discrepancy (REVD), a computation-efficient and quantified exploration method. More specifically, REVD provides intrinsic rewards by evaluating the R\'enyi divergence-based visitation discrepancy between episodes. To make efficient divergence estimation, a k-nearest neighbor estimator is utilized with a randomly-initialized state encoder. Finally, the REVD is tested on Atari games and PyBullet Robotics Environments. Extensive experiments demonstrate that REVD can significantly improves the sample efficiency of reinforcement learning algorithms and outperforms the benchmarking methods.

This article provides convergence analysis of online stochastic gradient descent algorithms for functional linear models. Adopting the characterizations of the slope function regularity, the kernel space capacity, and the capacity of the sampling process covariance operator, significant improvement on the convergence rates is achieved. Both prediction problems and estimation problems are studied, where we show that capacity assumption can alleviate the saturation of the convergence rate as the regularity of the target function increases. We show that with properly selected kernel, capacity assumptions can fully compensate for the regularity assumptions for prediction problems (but not for estimation problems). This demonstrates the significant difference between the prediction problems and the estimation problems in functional data analysis.

Recent studies on Click-Through Rate (CTR) prediction has reached new levels by modeling longer user behavior sequences. Among others, the two-stage methods stand out as the state-of-the-art (SOTA) solution for industrial applications. The two-stage methods first train a retrieval model to truncate the long behavior sequence beforehand and then use the truncated sequences to train a CTR model. However, the retrieval model and the CTR model are trained separately. So the retrieved subsequences in the CTR model is inaccurate, which degrades the final performance. In this paper, we propose an end-to-end paradigm to model long behavior sequences, which is able to achieve superior performance along with remarkable cost-efficiency compared to existing models. Our contribution is three-fold: First, we propose a hashing-based efficient target attention (TA) network named ETA-Net to enable end-to-end user behavior retrieval based on low-cost bit-wise operations. The proposed ETA-Net can reduce the complexity of standard TA by orders of magnitude for sequential data modeling. Second, we propose a general system architecture as one viable solution to deploy ETA-Net on industrial systems. Particularly, ETA-Net has been deployed on the recommender system of Taobao, and brought 1.8% lift on CTR and 3.1% lift on Gross Merchandise Value (GMV) compared to the SOTA two-stage methods. Third, we conduct extensive experiments on both offline datasets and online A/B test. The results verify that the proposed model outperforms existing CTR models considerably, in terms of both CTR prediction performance and online cost-efficiency. ETA-Net now serves the main traffic of Taobao, delivering services to hundreds of millions of users towards billions of items every day.

Data science research into fake news has gathered much momentum in recent years, arguably facilitated by the emergence of large public benchmark datasets. While it has been well-established within media studies that gender bias is an issue that pervades news media, there has been very little exploration into the relationship between gender bias and fake news. In this work, we provide the first empirical analysis of gender bias vis-a-vis fake news, leveraging simple and transparent lexicon-based methods over public benchmark datasets. Our analysis establishes the increased prevalance of gender bias in fake news across three facets viz., abundance, affect and proximal words. The insights from our analysis provide a strong argument that gender bias needs to be an important consideration in research into fake news.

Feature selection has drawn much attention over the last decades in machine learning because it can reduce data dimensionality while maintaining the original physical meaning of features, which enables better interpretability than feature extraction. However, most existing feature selection approaches, especially deep-learning-based, often focus on the features with great importance scores only but neglect those with less importance scores during training as well as the order of important candidate features. This can be risky since some important and relevant features might be unfortunately ignored during training, leading to suboptimal solutions or misleading selections. In our work, we deal with feature selection by exploiting the features with less importance scores and propose a feature selection framework based on a novel complementary feature mask. Our method is generic and can be easily integrated into existing deep-learning-based feature selection approaches to improve their performance as well. Experiments have been conducted on benchmarking datasets and shown that the proposed method can select more representative and informative features than the state of the art.  ( 2 min )

Real-world time-series datasets often violate the assumptions of standard supervised learning for forecasting -- their distributions evolve over time, rendering the conventional training and model selection procedures suboptimal. In this paper, we propose a novel method, Self-Adaptive Forecasting (SAF), to modify the training of time-series forecasting models to improve their performance on forecasting tasks with such non-stationary time-series data. SAF integrates a self-adaptation stage prior to forecasting based on `backcasting', i.e. predicting masked inputs backward in time. This is a form of test-time training that creates a self-supervised learning problem on test samples before performing the prediction task. In this way, our method enables efficient adaptation of encoded representations to evolving distributions, leading to superior generalization. SAF can be integrated with any canonical encoder-decoder based time-series architecture such as recurrent neural networks or attention-based architectures. On synthetic and real-world datasets in domains where time-series data are known to be notoriously non-stationary, such as healthcare and finance, we demonstrate a significant benefit of SAF in improving forecasting accuracy.  ( 2 min )

We present a multigrid-in-channels (MGIC) approach that tackles the quadratic growth of the number of parameters with respect to the number of channels in standard convolutional neural networks (CNNs). Thereby our approach addresses the redundancy in CNNs that is also exposed by the recent success of lightweight CNNs. Lightweight CNNs can achieve comparable accuracy to standard CNNs with fewer parameters; however, the number of weights still scales quadratically with the CNN's width. Our MGIC architectures replace each CNN block with an MGIC counterpart that utilizes a hierarchy of nested grouped convolutions of small group size to address this. Hence, our proposed architectures scale linearly with respect to the network's width while retaining full coupling of the channels as in standard CNNs. Our extensive experiments on image classification, segmentation, and point cloud classification show that applying this strategy to different architectures like ResNet and MobileNetV3 reduces the number of parameters while obtaining similar or better accuracy.  ( 3 min )

Deploying deep neural networks~(DNNs) on edge devices provides efficient and effective solutions for the real-world tasks. Edge devices have been used for collecting a large volume of data efficiently in different domains. DNNs have been an effective tool for data processing and analysis. However, designing DNNs on edge devices is challenging due to the limited computational resources and memory. To tackle this challenge, we demonstrate Object Detection System for Edge Devices~(BED) on the MAX78000 DNN accelerator. It integrates on-device DNN inference with a camera and an LCD display for image acquisition and detection exhibition, respectively. BED is a concise, effective and detailed solution, including model training, quantization, synthesis and deployment. The entire repository is open-sourced on Github, including a Graphical User Interface~(GUI) for on-chip debugging. Experiment results indicate that BED can produce accurate detection with a 300-KB tiny DNN model, which takes only 91.9 ms of inference time and 1.845 mJ of energy. The real-time detection is available at YouTube.  ( 3 min )

While Reinforcement Learning can achieve impressive results for complex tasks, the learned policies are generally prone to fail in downstream tasks with even minor model mismatch or unexpected perturbations. Recent works have demonstrated that a policy population with diverse behavior characteristics can generalize to downstream environments with various discrepancies. However, such policies might result in catastrophic damage during the deployment in practical scenarios like real-world systems due to the unrestricted behaviors of trained policies. Furthermore, training diverse policies without regulation of the behavior can result in inadequate feasible policies for extrapolating to a wide range of test conditions with dynamics shifts. In this work, we aim to train diverse policies under the regularization of the behavior patterns. We motivate our paradigm by observing the inverse dynamics in the environment with partial state information and propose Diversity in Regulation(DiR) training diverse policies with regulated behaviors to discover desired patterns that benefit the generalization. Considerable empirical results on various variations of different environments indicate that our method attains improvements over other diversity-driven counterparts.  ( 2 min )

Authorship attribution is the task of identifying the author of a given text. Most existing approaches use manually designed features that capture a dataset's content and style. However, this dataset-dependent approach yields inconsistent performance. Thus, we propose to fine-tune pre-trained language representations using a combination of contrastive learning and supervised learning (Contra-X). We show that Contra-X advances the state-of-the-art on multiple human and machine authorship attribution benchmarks, enabling improvements of up to 6.8%. We also show Contra-X to be consistently superior to cross-entropy fine-tuning across different data regimes. Crucially, we present qualitative and quantitative analyses of these improvements. Our learned representations form highly separable clusters for different authors. However, we find that contrastive learning improves overall accuracy at the cost of sacrificing performance for some authors. Resolving this tension will be an important direction for future work. To the best of our knowledge, we are the first to analyze the effect of combining contrastive learning with cross-entropy fine-tuning for authorship attribution.  ( 2 min )

We study the problem of allocating $T$ sequentially arriving items among $n$ homogeneous agents under the constraint that each agent must receive a pre-specified fraction of all items, with the objective of maximizing the agents' total valuation of items allocated to them. The agents' valuations for the item in each round are assumed to be i.i.d. but their distribution is a priori unknown to the central planner. Therefore, the central planner needs to implicitly learn these distributions from the observed values in order to pick a good allocation policy. However, an added challenge here is that the agents are strategic with incentives to misreport their valuations in order to receive better allocations. This sets our work apart both from the online auction design settings which typically assume known valuation distributions and/or involve payments, and from the online learning settings that do not consider strategic agents. To that end, our main contribution is an online learning based allocation mechanism that is approximately Bayesian incentive compatible, and when all agents are truthful, guarantees a sublinear regret for individual agents' utility compared to that under the optimal offline allocation policy.  ( 2 min )

We consider the problem of learning Stochastic Differential Equations of the form $dX_t = f(X_t)dt+\sigma(X_t)dW_t $ from one sample trajectory. This problem is more challenging than learning deterministic dynamical systems because one sample trajectory only provides indirect information on the unknown functions $f$, $\sigma$, and stochastic process $dW_t$ representing the drift, the diffusion, and the stochastic forcing terms, respectively. We propose a simple kernel-based solution to this problem that can be decomposed as follows: (1) Represent the time-increment map $X_t \rightarrow X_{t+dt}$ as a Computational Graph in which $f$, $\sigma$ and $dW_t$ appear as unknown functions and random variables. (2) Complete the graph (approximate unknown functions and random variables) via Maximum a Posteriori Estimation (given the data) with Gaussian Process (GP) priors on the unknown functions. (3) Learn the covariance functions (kernels) of the GP priors from data with randomized cross-validation. Numerical experiments illustrate the efficacy, robustness, and scope of our method.  ( 2 min )

Spectral clustering is popular among practitioners and theoreticians alike. While performance guarantees for spectral clustering are well understood, recent studies have focused on enforcing ``fairness'' in clusters, requiring them to be ``balanced'' with respect to a categorical sensitive node attribute (e.g. the race distribution in clusters must match the race distribution in the population). In this paper, we consider a setting where sensitive attributes indirectly manifest in an auxiliary \textit{representation graph} rather than being directly observed. This graph specifies node pairs that can represent each other with respect to sensitive attributes and is observed in addition to the usual \textit{similarity graph}. Our goal is to find clusters in the similarity graph while respecting a new individual-level fairness constraint encoded by the representation graph. We develop variants of unnormalized and normalized spectral clustering for this task and analyze their performance under a \emph{fair} planted partition model induced by the representation graph. This model uses both the cluster membership of the nodes and the structure of the representation graph to generate random similarity graphs. To the best of our knowledge, these are the first consistency results for constrained spectral clustering under an individual-level fairness constraint. Numerical results corroborate our theoretical findings.  ( 3 min )

Urbanization and its problems require an in-depth and comprehensive understanding of urban dynamics, especially the complex and diversified lifestyles in modern cities. Digitally acquired data can accurately capture complex human activity, but it lacks the interpretability of demographic data. In this paper, we study a privacy-enhanced dataset of the mobility visitation patterns of 1.2 million people to 1.1 million places in 11 metro areas in the U.S. to detect the latent mobility behaviors and lifestyles in the largest American cities. Despite the considerable complexity of mobility visitations, we found that lifestyles can be automatically decomposed into only 12 latent interpretable activity behaviors on how people combine shopping, eating, working, or using their free time. Rather than describing individuals with a single lifestyle, we find that city dwellers' behavior is a mixture of those behaviors. Those detected latent activity behaviors are equally present across cities and cannot be fully explained by main demographic features. Finally, we find those latent behaviors are associated with dynamics like experienced income segregation, transportation, or healthy behaviors in cities, even after controlling for demographic features. Our results signal the importance of complementing traditional census data with activity behaviors to understand urban dynamics.  ( 2 min )

A rapid transformation of current electric power and natural gas (NG) infrastructure is imperative to meet the mid-century goal of CO2 emissions reduction requires. This necessitates a long-term planning of the joint power-NG system under representative demand and supply patterns, operational constraints, and policy considerations. Our work is motivated by the computational and practical challenges associated with solving the generation and transmission expansion problem (GTEP) for joint planning of power-NG systems. Specifically, we focus on efficiently extracting a set of representative days from power and NG data in respective networks and using this set to reduce the computational burden required to solve the GTEP. We propose a Graph Autoencoder for Multiple time resolution Energy Systems (GAMES) to capture the spatio-temporal demand patterns in interdependent networks and account for differences in the temporal resolution of available data. The resulting embeddings are used in a clustering algorithm to select representative days. We evaluate the effectiveness of our approach in solving a GTEP formulation calibrated for the joint power-NG system in New England. This formulation accounts for the physical interdependencies between power and NG systems, including the joint emissions constraint. Our results show that the set of representative days obtained from GAMES not only allows us to tractably solve the GTEP formulation, but also achieves a lower cost of implementing the joint planning decisions.  ( 3 min )

Electroencephalography (EEG) and language have been widely explored independently for many downstream tasks (e.g., sentiment analysis, relation detection, etc.). Multimodal approaches that study both domains have not been well explored, even though in recent years, multimodal learning has been seen to be more powerful than its unimodal counterparts. In this study, we want to explore the relationship and dependency between EEG and language, i.e., how one domain reflects and represents the other. To study the relationship at the representation level, we introduced MTAM, a MultimodalTransformer Alignment Model, to observe coordinated representations between the two modalities, and thus employ the transformed representations for downstream applications. We used various relationship alignment-seeking techniques, such as Canonical Correlation Analysis and Wasserstein Distance, as loss functions to transfigure low-level language and EEG features to high-level transformed features. On downstream applications, sentiment analysis and relation detection, we achieved new state-of-the-art results on two datasets, ZuCo and K-EmoCon. Our method achieved an F1-score improvement of 16.5% on sentiment analysis for K-EmoCon, 27% on sentiment analysis of ZuCo, and 31.1% on relation detection of ZuCo. In addition, we provide interpretations of the performance improvement by: (1) visualizing the original feature distribution and the transformed feature distribution, showing the effectiveness of the alignment module for discovering and encoding the relationship between EEG and language; (2) visualizing word-level and sentence-level EEG-language alignment weights, showing the influence of different language semantics as well as EEG frequency features; and (3) visualizing brain topographical maps to provide an intuitive demonstration of the connectivity of EEG and language response in the brain regions.  ( 3 min )

In hope of expanding training data, researchers often want to merge two or more datasets that are created using different labeling schemes. This paper considers two datasets that label part-of-speech (POS) tags under different tagging schemes and leverage the supervised labels of one dataset to help generate labels for the other dataset. This paper further discusses the theoretical difficulties of this approach and proposes a novel supervised architecture employing Transformers to tackle the problem of consolidating two completely disjoint datasets. The results diverge from initial expectations and discourage exploration into the use of disjoint labels to consolidate datasets with different labels.  ( 2 min )

Multi-agent reinforcement learning (MARL) enables us to create adaptive agents in challenging environments, even when the agents have limited observation. Modern MARL methods have focused on finding factorized value functions. While successful, the resulting methods have convoluted network structures. We take a radically different approach and build on the structure of independent Q-learners. Our algorithm LAN leverages a dueling architecture to represent decentralized policies as separate individual advantage functions w.r.t.\ a centralized critic that is cast aside after training. The critic works as a stabilizer that coordinates the learning and to formulate DQN targets. This enables LAN to keep the number of parameters of its centralized network independent in the number of agents, without imposing additional constraints like monotonic value functions. When evaluated on the SMAC, LAN shows SOTA performance overall and scores more than 80\% wins in two super-hard maps where even QPLEX does not obtain almost any wins. Moreover, when the number of agents becomes large, LAN uses significantly fewer parameters than QPLEX or even QMIX. We thus show that LAN's structure forms a key improvement that helps MARL methods remain scalable.  ( 3 min )

Ensemble methods, such as random forests, are popular in applications due to their high predictive accuracy. Existing literature views a random forest prediction as an infinite-order incomplete U-statistic to quantify its uncertainty. However, these methods focus on a small subsampling size of each tree, which is theoretically valid but practically limited. This paper develops an unbiased variance estimator based on incomplete U-statistics, which allows the tree size to be comparable with the overall sample size, making statistical inference possible in a broader range of real applications. Simulation results demonstrate that our estimators enjoy lower bias and more accurate coverage rate without additional computational costs. We also propose a local smoothing procedure to reduce the variation of our estimator, which shows improved numerical performance when the number of trees is relatively small. Further, we investigate the ratio consistency of our proposed variance estimator under specific scenarios. In particular, we develop a new "double U-statistic" formulation to analyze the Hoeffding decomposition of the estimator's variance.  ( 2 min )

Deep neural networks trained for predicting cellular events from DNA sequence have become emerging tools to help elucidate the biological mechanism underlying the associations identified in genome-wide association studies. To enhance the training, multi-task learning (MTL) has been commonly exploited in previous works where trained networks were needed for multiple profiles differing in either event modality or cell type. All existing works adopted a simple MTL framework where all tasks share a single feature extraction network. Such a strategy even though effective to certain extent leads to substantial negative transfer, meaning the existence of large portion of tasks for which models obtained through MTL perform worse than those by single task learning. There have been methods developed to address such negative transfer in other domains, such as computer vision. However, these methods are generally difficult to scale up to handle large amount of tasks. In this paper, we propose a highly scalable task grouping framework to address negative transfer by only jointly training tasks that are potentially beneficial to each other. The proposed method exploits the network weights associated with task specific classification heads that can be cheaply obtained by one-time joint training of all tasks. Our results using a dataset consisting of 367 epigenetic profiles demonstrate the effectiveness of the proposed approach and its superiority over baseline methods.  ( 3 min )

Bandits with knapsacks (BwK) is an influential model of sequential decision-making under uncertainty that incorporates resource consumption constraints. In each round, the decision-maker observes an outcome consisting of a reward and a vector of nonnegative resource consumptions, and the budget of each resource is decremented by its consumption. In this paper we introduce a natural generalization of the stochastic BwK problem that allows non-monotonic resource utilization. In each round, the decision-maker observes an outcome consisting of a reward and a vector of resource drifts that can be positive, negative or zero, and the budget of each resource is incremented by its drift. Our main result is a Markov decision process (MDP) policy that has constant regret against a linear programming (LP) relaxation when the decision-maker knows the true outcome distributions. We build upon this to develop a learning algorithm that has logarithmic regret against the same LP relaxation when the decision-maker does not know the true outcome distributions. We also present a reduction from BwK to our model that shows our regret bound matches existing results.  ( 2 min )

Usage-based insurance is becoming the new standard in vehicle insurance; it is therefore relevant to find efficient ways of using insureds' driving data. Applying anomaly detection to vehicles' trip summaries, we develop a method allowing to derive a "routine" and a "peculiarity" anomaly profile for each vehicle. To this end, anomaly detection algorithms are used to compute a routine and a peculiarity anomaly score for each trip a vehicle makes. The former measures the anomaly degree of the trip compared to the other trips made by the concerned vehicle, while the latter measures its anomaly degree compared to trips made by any vehicle. The resulting anomaly scores vectors are used as routine and peculiarity profiles. Features are then extracted from these profiles, for which we investigate the predictive power in the claim classification framework. Using real data, we find that features extracted from the vehicles' peculiarity profile improve classification.  ( 2 min )

In image classification, a lot of development has happened in detecting out-of-distribution (OoD) data. However, most OoD detection methods are evaluated on a standard set of datasets, arbitrarily different from training data. There is no clear definition of what forms a ``good" OoD dataset. Furthermore, the state-of-the-art OoD detection methods already achieve near perfect results on these standard benchmarks. In this paper, we define 2 categories of OoD data using the subtly different concepts of perceptual/visual and semantic similarity to in-distribution (iD) data. We define Near OoD samples as perceptually similar but semantically different from iD samples, and Shifted samples as points which are visually different but semantically akin to iD data. We then propose a GAN based framework for generating OoD samples from each of these 2 categories, given an iD dataset. Through extensive experiments on MNIST, CIFAR-10/100 and ImageNet, we show that a) state-of-the-art OoD detection methods which perform exceedingly well on conventional benchmarks are significantly less robust to our proposed benchmark. Moreover, b) models performing well on our setup also perform well on conventional real-world OoD detection benchmarks and vice versa, thereby indicating that one might not even need a separate OoD set, to reliably evaluate performance in OoD detection.  ( 2 min )

Bitcoin has been subject to illicit activities more often than probably any other financial assets, due to the pseudo-anonymous nature of its transacting entities. An ideal detection model is expected to achieve all the three properties of (I) early detection, (II) good interpretability, and (III) versatility for various illicit activities. However, existing solutions cannot meet all these requirements, as most of them heavily rely on deep learning without satisfying interpretability and are only available for retrospective analysis of a specific illicit type. First, we present asset transfer paths, which aim to describe addresses' early characteristics. Next, with a decision tree based strategy for feature selection and segmentation, we split the entire observation period into different segments and encode each as a segment vector. After clustering all these segment vectors, we get the global status vectors, essentially the basic unit to describe the whole intention. Finally, a hierarchical self-attention predictor predicts the label for the given address in real time. A survival module tells the predictor when to stop and proposes the status sequence, namely intention. % With the type-dependent selection strategy and global status vectors, our model can be applied to detect various illicit activities with strong interpretability. The well-designed predictor and particular loss functions strengthen the model's prediction speed and interpretability one step further. Extensive experiments on three real-world datasets show that our proposed algorithm outperforms state-of-the-art methods. Besides, additional case studies justify our model can not only explain existing illicit patterns but can also find new suspicious characters.

Belief Propagation (BP) is an important message-passing algorithm for various reasoning tasks over graphical models, including solving the Constraint Optimization Problems (COPs). It has been shown that BP can achieve state-of-the-art performance on various benchmarks by mixing old and new messages before sending the new one, i.e., damping. However, existing methods of tuning a static damping factor for BP not only are laborious but also harm their performance. Moreover, existing BP algorithms treat each variable node's neighbors equally when composing a new message, which also limits their exploration ability. To address these issues, we seamlessly integrate BP, Gated Recurrent Units (GRUs), and Graph Attention Networks (GATs) within the message-passing framework to reason about dynamic weights and damping factors for composing new BP messages. Our model, Deep Attentive Belief Propagation (DABP), takes the factor graph and the BP messages in each iteration as the input and infers the optimal weights and damping factors through GRUs and GATs, followed by a multi-head attention layer. Furthermore, unlike existing neural-based BP variants, we propose a novel self-supervised learning algorithm for DABP with a smoothed solution cost, which does not require expensive training labels and also avoids the common out-of-distribution issue through efficient online learning. Extensive experiments show that our model significantly outperforms state-of-the-art baselines.

The transcription quality of automatic speech recognition (ASR) systems degrades significantly when transcribing audios coming from unseen domains. We propose an unsupervised error correction method for unsupervised ASR domain adaption, aiming to recover transcription errors caused by domain mismatch. Unlike existing correction methods that rely on transcribed audios for training, our approach requires only unlabeled data of the target domains in which a pseudo-labeling technique is applied to generate correction training samples. To reduce over-fitting to the pseudo data, we also propose an encoder-decoder correction model that can take into account additional information such as dialogue context and acoustic features. Experiment results show that our method obtains a significant word error rate (WER) reduction over non-adapted ASR systems. The correction model can also be applied on top of other adaptation approaches to bring an additional improvement of 10% relatively.

Traffic speed forecasting is one of the core problems in transportation systems. For a more accurate prediction, recent studies started using not only the temporal speed patterns but also the spatial information on the road network through the graph convolutional networks. Even though the road network is highly complex due to its non-Euclidean and directional characteristics, previous approaches mainly focused on modeling the spatial dependencies using the distance only. In this paper, we identify two essential spatial dependencies in traffic forecasting in addition to distance, direction and positional relationship, for designing basic graph elements as the fundamental building blocks. Using the building blocks, we suggest DDP-GCN (Distance, Direction, and Positional relationship Graph Convolutional Network) to incorporate the three spatial relationships into deep neural networks. We evaluate the proposed model with two large-scale real-world datasets, and find positive improvements for long-term forecasting in highly complex urban networks. The improvement can be larger for commute hours, but it can be also limited for short-term forecasting.

Attention mechanisms, primarily designed to capture pairwise correlations between words, have become the backbone of machine learning, expanding beyond natural language processing into other domains. This growth in adaptation comes at the cost of prohibitively large memory requirements and computational complexity, especially at higher number of input elements. This limitation is due to inherently limited data reuse opportunities and quadratic growth in memory footprints, leading to severe memory-boundedness and limited scalability of input elements. This work addresses these challenges by devising a tailored dataflow optimization, called FLAT, for attention mechanisms without altering their functionality. This dataflow processes costly attention operations through a unique fusion mechanism, transforming the memory footprint quadratic growth to merely a linear one. To realize the full potential of this bespoke mechanism, we propose a tiling approach to enhance the data reuse across attention operations. Our method both mitigates the off-chip bandwidth bottleneck as well as reduces the on-chip memory requirement. FLAT delivers 1.94x (1.76x) speedup and 49% and (42%) of energy savings compared to the state-of-the-art Edge (Cloud) accelerators with no customized dataflow optimization. When on-chip resources are scarce (20 KB-200 KB), FLAT yields, on average, 1.5x end-to-end latency reduction across a diverse range of conventional attention-based models with input sequence lengths ranging from 512-token to 64K-token. Our evaluations demonstrate that state-of-the-art DNN dataflow applied to attention operations reach the efficiency limit for inputs above 512 elements. In contrast, FLAT unblocks transformer models for inputs with up to 64K elements

We consider a discounted cost constrained Markov decision process (CMDP) policy optimization problem, in which an agent seeks to maximize a discounted cumulative reward subject to a number of constraints on discounted cumulative utilities. To solve this constrained optimization program, we study an online actor-critic variant of a classic primal-dual method where the gradients of both the primal and dual functions are estimated using samples from a single trajectory generated by the underlying time-varying Markov processes. This online primal-dual natural actor-critic algorithm maintains and iteratively updates three variables: a dual variable (or Lagrangian multiplier), a primal variable (or actor), and a critic variable used to estimate the gradients of both primal and dual variables. These variables are updated simultaneously but on different time scales (using different step sizes) and they are all intertwined with each other. Our main contribution is to derive a finite-time analysis for the convergence of this algorithm to the global optimum of a CMDP problem. Specifically, we show that with a proper choice of step sizes the optimality gap and constraint violation converge to zero in expectation at a rate $\mathcal{O}(1/K^{1/6})$, where K is the number of iterations. To our knowledge, this paper is the first to study the finite-time complexity of an online primal-dual actor-critic method for solving a CMDP problem. We also validate the effectiveness of this algorithm through numerical simulations.

While a broad range of techniques have been proposed to tackle distribution shift, the simple baseline of training on an $\textit{undersampled}$ balanced dataset often achieves close to state-of-the-art-accuracy across several popular benchmarks. This is rather surprising, since undersampling algorithms discard excess majority group data. To understand this phenomenon, we ask if learning is fundamentally constrained by a lack of minority group samples. We prove that this is indeed the case in the setting of nonparametric binary classification. Our results show that in the worst case, an algorithm cannot outperform undersampling unless there is a high degree of overlap between the train and test distributions (which is unlikely to be the case in real-world datasets), or if the algorithm leverages additional structure about the distribution shift. In particular, in the case of label shift we show that there is always an undersampling algorithm that is minimax optimal. In the case of group-covariate shift we show that there is an undersampling algorithm that is minimax optimal when the overlap between the group distributions is small. We also perform an experimental case study on a label shift dataset and find that in line with our theory, the test accuracy of robust neural network classifiers is constrained by the number of minority samples.

The ever-increasing quantity of multivariate process data is driving a need for skilled engineers to analyze, interpret, and build models from such data. Multivariate data analytics relies heavily on linear algebra, optimization, and statistics and can be challenging for students to understand given that most curricula do not have strong coverage in the latter three topics. This article describes interactive software - the Latent Variable Demonstrator (LAVADE) - for teaching, learning, and understanding latent variable methods. In this software, users can interactively compare latent variable methods such as Partial Least Squares (PLS), and Principal Component Regression (PCR) with other regression methods such as Least Absolute Shrinkage and Selection Operator (lasso), Ridge Regression (RR), and Elastic Net (EN). LAVADE helps to build intuition on choosing appropriate methods, hyperparameter tuning, and model coefficient interpretation, fostering a conceptual understanding of the algorithms' differences. The software contains a data generation method and three chemical process datasets, allowing for comparing results of datasets with different levels of complexity. LAVADE is released as open-source software so that others can apply and advance the tool for use in teaching or research.

In supervised deep learning, learning good representations for remote--sensing images (RSI) relies on manual annotations. However, in the area of remote sensing, it is hard to obtain huge amounts of labeled data. Recently, self--supervised learning shows its outstanding capability to learn representations of images, especially the methods of instance discrimination. Comparing methods of instance discrimination, clustering--based methods not only view the transformations of the same image as ``positive" samples but also similar images. In this paper, we propose a new clustering-based method for representation learning. We first introduce a quantity to measure representations' discriminativeness and from which we show that even distribution requires the most discriminative representations. This provides a theoretical insight into why evenly distributing the images works well. We notice that only the even distributions that preserve representations' neighborhood relations are desirable. Therefore, we develop an algorithm that translates the outputs of a neural network to achieve the goal of evenly distributing the samples while preserving outputs' neighborhood relations. Extensive experiments have demonstrated that our method can learn representations that are as good as or better than the state of the art approaches, and that our method performs computationally efficiently and robustly on various RSI datasets.

Learning to optimize is a rapidly growing area that aims to solve optimization problems or improve existing optimization algorithms using machine learning (ML). In particular, the graph neural network (GNN) is considered a suitable ML model for optimization problems whose variables and constraints are permutation--invariant, for example, the linear program (LP). While the literature has reported encouraging numerical results, this paper establishes the theoretical foundation of applying GNNs to solving LPs. Given any size limit of LPs, we construct a GNN that maps different LPs to different outputs. We show that properly built GNNs can reliably predict feasibility, boundedness, and an optimal solution for each LP in a broad class. Our proofs are based upon the recently--discovered connections between the Weisfeiler--Lehman isomorphism test and the GNN. To validate our results, we train a simple GNN and present its accuracy in mapping LPs to their feasibilities and solutions.

Uplift modeling is a rapidly growing approach that utilizes causal inference and machine learning methods to directly estimate the heterogeneous treatment effects, which has been widely applied to various online marketplaces to assist large-scale decision-making in recent years. The existing popular models, like causal forest (CF), are limited to either discrete treatments or posing parametric assumptions on the outcome-treatment relationship that may suffer model misspecification. However, continuous treatments (e.g., price, duration) often arise in marketplaces. To alleviate these restrictions, we use a kernel-based doubly robust estimator to recover the non-parametric dose-response functions that can flexibly model continuous treatment effects. Moreover, we propose a generic distance-based splitting criterion to capture the heterogeneity for the continuous treatments. We call the proposed algorithm generalized causal forest (GCF) as it generalizes the use case of CF to a much broader setting. We show the effectiveness of GCF by deriving the asymptotic property of the estimator and comparing it to popular uplift modeling methods on both synthetic and real-world datasets. We implement GCF on Spark and successfully deploy it into a large-scale online pricing system at a leading ride-sharing company. Online A/B testing results further validate the superiority of GCF.

Iterative machine learning algorithms used to power recommender systems often change people's preferences by trying to learn them. Further a recommender can better predict what a user will do by making its users more predictable. Some preference changes on the part of the user are self-induced and desired whether the recommender caused them or not. This paper proposes that solutions to preference manipulation in recommender systems must take into account certain meta-preferences (preferences over another preference) in order to respect the autonomy of the user and not be manipulative.

Variational Bayesian inference is an important machine-learning tool that finds application from statistics to robotics. The goal is to find an approximate probability density function (PDF) from a chosen family that is in some sense 'closest' to the full Bayesian posterior. Closeness is typically defined through the selection of an appropriate loss functional such as the Kullback-Leibler (KL) divergence. In this paper, we explore a new formulation of variational inference by exploiting the fact that (most) PDFs are members of a Bayesian Hilbert space under careful definitions of vector addition, scalar multiplication and an inner product. We show that, under the right conditions, variational inference based on KL divergence can amount to iterative projection, in the Euclidean sense, of the Bayesian posterior onto a subspace corresponding to the selected approximation family. We work through the details of this general framework for the specific case of the Gaussian approximation family and show the equivalence to another Gaussian variational inference approach. We furthermore discuss the implications for systems that exhibit sparsity, which is handled naturally in Bayesian space, and give an example of a high-dimensional robotic state estimation problem that can be handled as a result. We provide some preliminary examples of how the approach could be applied to non-Gaussian inference and discuss the limitations of the approach in detail to encourage follow-on work along these lines.

Multi-goal reinforcement learning is widely applied in planning and robot manipulation. Two main challenges in multi-goal reinforcement learning are sparse rewards and sample inefficiency. Hindsight Experience Replay (HER) aims to tackle the two challenges via goal relabeling. However, HER-related works still need millions of samples and a huge computation. In this paper, we propose Multi-step Hindsight Experience Replay (MHER), incorporating multi-step relabeled returns based on $n$-step relabeling to improve sample efficiency. Despite the advantages of $n$-step relabeling, we theoretically and experimentally prove the off-policy $n$-step bias introduced by $n$-step relabeling may lead to poor performance in many environments. To address the above issue, two bias-reduced MHER algorithms, MHER($\lambda$) and Model-based MHER (MMHER) are presented. MHER($\lambda$) exploits the $\lambda$ return while MMHER benefits from model-based value expansions. Experimental results on numerous multi-goal robotic tasks show that our solutions can successfully alleviate off-policy $n$-step bias and achieve significantly higher sample efficiency than HER and Curriculum-guided HER with little additional computation beyond HER.

Overlapped speech detection (OSD) is critical for speech applications in scenario of multi-party conversion. Despite numerous research efforts and progresses, comparing with speech activity detection (VAD), OSD remains an open challenge and its overall performance is far from satisfactory. The majority of prior research typically formulates the OSD problem as a standard classification problem, to identify speech with binary (OSD) or three-class label (joint VAD and OSD) at frame level. In contrast to the mainstream, this study investigates the joint VAD and OSD task from a new perspective. In particular, we propose to extend traditional classification network with multi-exit architecture. Such an architecture empowers our system with unique capability to identify class using either low-level features from early exits or high-level features from last exit. In addition, two training schemes, knowledge distillation and dense connection, are adopted to further boost our system performance. Experimental results on benchmark datasets (AMI and DIHARD-III) validated the effectiveness and generality of our proposed system. Our ablations further reveal the complementary contribution of proposed schemes. With $F_1$ score of 0.792 on AMI and 0.625 on DIHARD-III, our proposed system outperforms several top performing models on these datasets, but also surpasses the current state-of-the-art by large margins across both datasets. Besides the performance benefit, our proposed system offers another appealing potential for quality-complexity trade-offs, which is highly preferred for efficient OSD deployment.

Knowledge graphs (KGs) facilitate a wide variety of applications due to their ability to store relational knowledge applicable to many areas. Despite great efforts invested in creation and maintenance, even the largest KGs are far from complete. Hence, KG completion (KGC) has become one of the most crucial tasks for KG research. Recently, considerable literature in this space has centered around the use of Graph Neural Networks (GNNs) to learn powerful embeddings which leverage topological structures in the KGs. Specifically, dedicated efforts have been made to extend GNNs, which are commonly designed for simple homogeneous and uni-relational graphs, to the KG context which has diverse and multi-relational connections between entities, by designing more complex aggregation schemes over neighboring nodes (crucial to GNN performance) to appropriately leverage multi-relational information. The success of these methods is naturally attributed to the use of GNNs over simpler multi-layer perceptron (MLP) models, owing to their additional aggregation functionality. In this work, we find that surprisingly, simple MLP models are able to achieve comparable performance to GNNs, suggesting that aggregation may not be as crucial as previously believed. With further exploration, we show careful scoring function and loss function design has a much stronger influence on KGC model performance, and aggregation is not practically required. This suggests a conflation of scoring function design, loss function design, and aggregation in prior work, with promising insights regarding the scalability of state-of-the-art KGC methods today, as well as careful attention to more suitable aggregation designs for KGC tasks tomorrow. The implementation is available online: https://github.com/Juanhui28/Are_MPNNs_helpful.

Anomaly detection is the process of identifying unexpected events or ab-normalities in data, and it has been applied in many different areas such as system monitoring, fraud detection, healthcare, intrusion detection, etc. Providing real-time, lightweight, and proactive anomaly detection for time series with neither human intervention nor domain knowledge could be highly valuable since it reduces human effort and enables appropriate countermeasures to be undertaken before a disastrous event occurs. To our knowledge, RePAD (Real-time Proactive Anomaly Detection algorithm) is a generic approach with all above-mentioned features. To achieve real-time and lightweight detection, RePAD utilizes Long Short-Term Memory (LSTM) to detect whether or not each upcoming data point is anomalous based on short-term historical data points. However, it is unclear that how different amounts of historical data points affect the performance of RePAD. Therefore, in this paper, we investigate the impact of different amounts of historical data on RePAD by introducing a set of performance metrics that cover novel detection accuracy measures, time efficiency, readiness, and resource consumption, etc. Empirical experiments based on real-world time series datasets are conducted to evaluate RePAD in different scenarios, and the experimental results are presented and discussed.

We study momentum-based first-order optimization algorithms in which the iterations utilize information from the two previous steps and are subject to an additive white noise. This class of algorithms includes heavy-ball and Nesterov's accelerated methods as special cases. For strongly convex quadratic problems, we use the steady-state variance of the error in the optimization variable to quantify noise amplification and exploit a novel geometric viewpoint to establish analytical lower bounds on the product between the settling time and the smallest/largest achievable noise amplification. For all stabilizing parameters, these bounds scale quadratically with the condition number. We also use the geometric insight developed in the paper to introduce two parameterized families of algorithms that strike a balance between noise amplification and settling time while preserving order-wise Pareto optimality. Finally, for a class of continuous-time gradient flow dynamics, whose suitable discretization yields two-step momentum algorithm, we establish analogous lower bounds that also scale quadratically with the condition number.

This paper addresses the problem of learning a sparse structure Bayesian network from high-dimensional discrete data. Compared to continuous Bayesian networks, learning a discrete Bayesian network is a challenging problem due to the large parameter space. Although many approaches have been developed for learning continuous Bayesian networks, few approaches have been proposed for the discrete ones. In this paper, we address learning Bayesian networks as an optimization problem and propose a score function which guarantees the learnt structure to be a sparse directed acyclic graph. Besides, we implement a block-wised stochastic coordinate descent algorithm to optimize the score function. Specifically, we use a variance reducing method in our optimization algorithm to make the algorithm work efficiently for high-dimensional data. The proposed approach is applied to synthetic data from well-known benchmark networks. The quality, scalability, and robustness of the constructed network are measured. Compared to some competitive approaches, the results reveal that our algorithm outperforms some of the well-known proposed methods.

We benchmark a subseasonal forecasting toolkit of simple learned models that outperform both operational practice and state-of-the-art machine learning and deep learning methods. These models, introduced by Mouatadid et al. (2022), include (a) Climatology++, an adaptive alternative to climatology that, for precipitation, is 9% more accurate and 250% more skillful than the United States operational Climate Forecasting System (CFSv2); (b) CFSv2++, a learned CFSv2 correction that improves temperature and precipitation accuracy by 7-8% and skill by 50-275%; and (c) Persistence++, an augmented persistence model that combines CFSv2 forecasts with lagged measurements to improve temperature and precipitation accuracy by 6-9% and skill by 40-130%. Across the contiguous U.S., the Climatology++, CFSv2++, and Persistence++ toolkit consistently outperforms standard meteorological baselines, state-of-the-art machine and deep learning methods, and the European Centre for Medium-Range Weather Forecasts ensemble.

Small generalization errors of over-parameterized neural networks (NNs) can be partially explained by the frequency biasing phenomenon, where gradient-based algorithms minimize the low-frequency misfit before reducing the high-frequency residuals. Using the Neural Tangent Kernel (NTK), one can provide a theoretically rigorous analysis for training where data are drawn from constant or piecewise-constant probability densities. Since most training data sets are not drawn from such distributions, we use the NTK model and a data-dependent quadrature rule to theoretically quantify the frequency biasing of NN training given fully nonuniform data. By replacing the loss function with a carefully selected Sobolev norm, we can further amplify, dampen, counterbalance, or reverse the intrinsic frequency biasing in NN training.

The equivalence of realizable and agnostic learnability is a fundamental phenomenon in learning theory. With variants ranging from classical settings like PAC learning and regression to recent trends such as adversarially robust and private learning, it's surprising that we still lack a unified theory; traditional proofs of the equivalence tend to be disparate, and rely on strong model-specific assumptions like uniform convergence and sample compression. In this work, we give the first model-independent framework explaining the equivalence of realizable and agnostic learnability: a three-line blackbox reduction that simplifies, unifies, and extends our understanding across a wide variety of settings. This includes models with no known characterization of learnability such as learning with arbitrary distributional assumptions or general loss, as well as a host of other popular settings such as robust learning, partial learning, fair learning, and the statistical query model. More generally, we argue that the equivalence of realizable and agnostic learning is actually a special case of a broader phenomenon we call property generalization: any desirable property of a learning algorithm (e.g.\ noise tolerance, privacy, stability) that can be satisfied over finite hypothesis classes extends (possibly in some variation) to any learnable hypothesis class.

We consider the open federated learning (FL) systems, where clients may join and/or leave the system during the FL process. Given the variability of the number of present clients, convergence to a fixed model cannot be guaranteed in open systems. Instead, we resort to a new performance metric that we term the stability of open FL systems, which quantifies the magnitude of the learned model in open systems. Under the assumption that local clients' functions are strongly convex and smooth, we theoretically quantify the radius of stability for two FL algorithms, namely local SGD and local Adam. We observe that this radius relies on several key parameters, including the function condition number as well as the variance of the stochastic gradient. Our theoretical results are further verified by numerical simulations on both synthetic and real-world benchmark data-sets.

Strong adversarial examples are the keys to evaluating and enhancing the robustness of deep neural networks. The popular adversarial attack algorithms maximize the non-concave loss function using the gradient ascent. However, the performance of each attack is usually sensitive to, for instance, minor image transformations due to insufficient information (only one input example, few white-box source models and unknown defense strategies). Hence, the crafted adversarial examples are prone to overfit the source model, which limits their transferability to unidentified architectures. In this paper, we propose Multiple Asymptotically Normal Distribution Attacks (MultiANDA), a novel method that explicitly characterizes adversarial perturbations from a learned distribution. Specifically, we approximate the posterior distribution over the perturbations by taking advantage of the asymptotic normality property of stochastic gradient ascent (SGA), then apply the ensemble strategy on this procedure to estimate a Gaussian mixture model for a better exploration of the potential optimization space. Drawing perturbations from the learned distribution allow us to generate any number of adversarial examples for each input. The approximated posterior essentially describes the stationary distribution of SGA iterations, which captures the geometric information around the local optimum. Thus, the samples drawn from the distribution reliably maintain the transferability. Our proposed method outperforms nine state-of-the-art black-box attacks on deep learning models with or without defenses through extensive experiments on seven normally trained and seven defence models.

In this integrated study, a turboshaft engine was evaluated by adding inlet air cooling and regenerative cooling based on energy-environment analysis. First, impacts of flight-Mach number, flight altitude, the compression ratio of compressor-1 in the main cycle, the turbine inlet temperature of turbine-1 in the main cycle, temperature fraction of turbine-2, the compression ratio of the accessory cycle, and inlet air temperature variation in inlet air cooling system on some functional performance parameters of Regenerative turboshaft engine cycle equipped with inlet air cooling system such as power-specific fuel consumption, Power output, thermal efficiency, and mass flow rate of Nitride oxides (NOx) including NO and NO2 has been investigated via using hydrogen as fuel working. Consequently, based on the analysis, a model was developed to predict the energy-environment performance of the Regenerative turboshaft engine cycle equipped with a cooling air cooling system based on a deep neural network (DNN) with 2 hidden layers with 625 neurons for each hidden layer. The model proposed to predict the amount of thermal efficiency and the mass flow rate of nitride oxide (NOx) containing NO and NO2. The results demonstrated the accuracy of the integrated DNN model with the proper amount of the MSE, MAE, and RMSD cost function for both predicted outputs to validate both testing and training data. Also, R and R^2 are noticeably calculated very close to 1 for both thermal Efficiency and NOx emission mass flow rate for both validations of thermal efficiency and NOx emission mass flow rate prediction values with its training and its testing data.

In medicine, curated image datasets often employ discrete labels to describe what is known to be a continuous spectrum of healthy to pathological conditions, such as e.g. the Alzheimer's Disease Continuum or other areas where the image plays a pivotal point in diagnosis. We propose an architecture for image stratification based on a conditional variational autoencoder. Our framework, VAESim, leverages a continuous latent space to represent the continuum of disorders and finds clusters during training, which can then be used for image/patient stratification. The core of the method learns a set of prototypical vectors, each associated with a cluster. First, we perform a soft assignment of each data sample to the clusters. Then, we reconstruct the sample based on a similarity measure between the sample embedding and the prototypical vectors of the clusters. To update the prototypical embeddings, we use an exponential moving average of the most similar representations between actual prototypes and samples in the batch size. We test our approach on the MNIST-handwritten digit dataset and on a medical benchmark dataset called PneumoniaMNIST. We demonstrate that our method outperforms baselines in terms of kNN accuracy measured on a classification task against a standard VAE (up to 15% improvement in performance) in both datasets, and also performs at par with classification models trained in a fully supervised way. We also demonstrate how our model outperforms current, end-to-end models for unsupervised stratification.

Ovarian cancer is the most lethal gynaecological malignancy. The disease is most commonly asymptomatic at its early stages and its diagnosis relies on expert evaluation of transvaginal ultrasound images. Ultrasound is the first-line imaging modality for characterising adnexal masses, it requires significant expertise and its analysis is subjective and labour-intensive, therefore open to error. Hence, automating processes to facilitate and standardise the evaluation of scans is desired in clinical practice. Using supervised learning, we have demonstrated that segmentation of adnexal masses is possible, however, prevalence and label imbalance restricts the performance on under-represented classes. To mitigate this we apply a novel pathology-specific data synthesiser. We create synthetic medical images with their corresponding ground truth segmentations by using Poisson image editing to integrate less common masses into other samples. Our approach achieves the best performance across all classes, including an improvement of up to 8% when compared with nnU-Net baseline approaches.

Noise in seismic data arises from numerous sources and is continually evolving. The use of supervised deep learning procedures for denoising of seismic datasets often results in poor performance: this is due to the lack of noise-free field data to act as training targets and the large difference in characteristics between synthetic and field datasets. Self-supervised, blind-spot networks typically overcome these limitation by training directly on the raw, noisy data. However, such networks often rely on a random noise assumption, and their denoising capabilities quickly decrease in the presence of even minimally-correlated noise. Extending from blind-spots to blind-masks can efficiently suppress coherent noise along a specific direction, but it cannot adapt to the ever-changing properties of noise. To preempt the network's ability to predict the signal and reduce its opportunity to learn the noise properties, we propose an initial, supervised training of the network on a frugally-generated synthetic dataset prior to fine-tuning in a self-supervised manner on the field dataset of interest. Considering the change in peak signal-to-noise ratio, as well as the volume of noise reduced and signal leakage observed, we illustrate the clear benefit in initialising the self-supervised network with the weights from a supervised base-training. This is further supported by a test on a field dataset where the fine-tuned network strikes the best balance between signal preservation and noise reduction. Finally, the use of the unrealistic, frugally-generated synthetic dataset for the supervised base-training includes a number of benefits: minimal prior geological knowledge is required, substantially reduced computational cost for the dataset generation, and a reduced requirement of re-training the network should recording conditions change, to name a few.

Novel object captioning (NOC) aims to describe images containing objects without observing their ground truth captions during training. Due to the absence of caption annotation, captioning models cannot be directly optimized via sequence-to-sequence training or CIDEr optimization. As a result, we present Paraphrasing-to-Captioning (P2C), a two-stage learning framework for NOC, which would heuristically optimize the output captions via paraphrasing. With P2C, the captioning model first learns paraphrasing from a language model pre-trained on text-only corpus, allowing expansion of the word bank for improving linguistic fluency. To further enforce the output caption sufficiently describing the visual content of the input image, we perform self-paraphrasing for the captioning model with fidelity and adequacy objectives introduced. Since no ground truth captions are available for novel object images during training, our P2C leverages cross-modality (image-text) association modules to ensure the above caption characteristics can be properly preserved. In the experiments, we not only show that our P2C achieves state-of-the-art performances on nocaps and COCO Caption datasets, we also verify the effectiveness and flexibility of our learning framework by replacing language and cross-modality association models for NOC. Implementation details and code are available in the supplementary materials.

Many modern computational approaches to classical problems in quantitative finance are formulated as empirical loss minimization (ERM), allowing direct applications of classical results from statistical machine learning. These methods, designed to directly construct the optimal feedback representation of hedging or investment decisions, are analyzed in this framework demonstrating their effectiveness as well as their susceptibility to generalization error. Use of classical techniques shows that over-training renders trained investment decisions to become anticipative, and proves overlearning for large hypothesis spaces. On the other hand, non-asymptotic estimates based on Rademacher complexity show the convergence for sufficiently large training sets. These results emphasize the importance of synthetic data generation and the appropriate calibration of complex models to market data. A numerically studied stylized example illustrates these possibilities, including the importance of problem dimension in the degree of overlearning, and the effectiveness of this approach.

We study the interplay between feedback and communication in a cooperative online learning setting where a network of agents solves a task in which the learners' feedback is determined by an arbitrary graph. We characterize regret in terms of the independence number of the strong product between the feedback graph and the communication network. Our analysis recovers as special cases many previously known bounds for distributed online learning with either expert or bandit feedback. A more detailed version of our results also captures the dependence of the regret on the delay caused by the time the information takes to traverse each graph. Experiments run on synthetic data show that the empirical behavior of our algorithm is consistent with the theoretical results.

We consider the problem of combining machine learning models to perform higher-level cognitive tasks with clear specifications. We propose the novel problem of Visual Discrimination Puzzles (VDP) that requires finding interpretable discriminators that classify images according to a logical specification. Humans can solve these puzzles with ease and they give robust, verifiable, and interpretable discriminators as answers. We propose a compositional neurosymbolic framework that combines a neural network to detect objects and relationships with a symbolic learner that finds interpretable discriminators. We create large classes of VDP datasets involving natural and artificial images and show that our neurosymbolic framework performs favorably compared to several purely neural approaches.

Scaling reinforcement learning (RL) to recommender systems (RS) is promising since maximizing the expected cumulative rewards for RL agents meets the objective of RS, i.e., improving customers' long-term satisfaction. A key approach to this goal is offline RL, which aims to learn policies from logged data. However, the high-dimensional action space and the non-stationary dynamics in commercial RS intensify distributional shift issues, making it challenging to apply offline RL methods to RS. To alleviate the action distribution shift problem in extracting RL policy from static trajectories, we propose Value Penalized Q-learning (VPQ), an uncertainty-based offline RL algorithm. It penalizes the unstable Q-values in the regression target by uncertainty-aware weights, without the need to estimate the behavior policy, suitable for RS with a large number of items. We derive the penalty weights from the variances across an ensemble of Q-functions. To alleviate distributional shift issues at test time, we further introduce the critic framework to integrate the proposed method with classic RS models. Extensive experiments conducted on two real-world datasets show that the proposed method could serve as a gain plugin for existing RS models.  ( 3 min )

Deep learning methods have been shown to be effective for the automatic segmentation of structures and pathologies in medical imaging. However, they require large annotated datasets, whose manual segmentation is a tedious and time-consuming task, especially for large structures. We present a new method of partial annotations that uses a small set of consecutive annotated slices from each scan with an annotation effort that is equal to that of only few annotated cases. The training with partial annotations is performed by using only annotated blocks, incorporating information about slices outside the structure of interest and modifying a batch loss function to consider only the annotated slices. To facilitate training in a low data regime, we use a two-step optimization process. We tested the method with the popular soft Dice loss for the fetal body segmentation task in two MRI sequences, TRUFI and FIESTA, and compared full annotation regime to partial annotations with a similar annotation effort. For TRUFI data, the use of partial annotations yielded slightly better performance on average compared to full annotations with an increase in Dice score from 0.936 to 0.942, and a substantial decrease in Standard Deviations (STD) of Dice score by 22% and Average Symmetric Surface Distance (ASSD) by 15%. For the FIESTA sequence, partial annotations also yielded a decrease in STD of the Dice score and ASSD metrics by 27.5% and 33% respectively for in-distribution data, and a substantial improvement also in average performance on out-of-distribution data, increasing Dice score from 0.84 to 0.9 and decreasing ASSD from 7.46 to 4.01 mm. The two-step optimization process was helpful for partial annotations for both in-distribution and out-of-distribution data. The partial annotations method with the two-step optimizer is therefore recommended to improve segmentation performance under low data regime.

This work proposes aesthetic gradients, a method to personalize a CLIP-conditioned diffusion model by guiding the generative process towards custom aesthetics defined by the user from a set of images. The approach is validated with qualitative and quantitative experiments, using the recent stable diffusion model and several aesthetically-filtered datasets. Code is released at https://github.com/vicgalle/stable-diffusion-aesthetic-gradients

One of the main challenges of Topological Data Analysis (TDA) is to extract features from persistent diagrams directly usable by machine learning algorithms. Indeed, persistence diagrams are intrinsically (multi-)sets of points in $\mathbb{R}^2$ and cannot be seen in a straightforward manner as vectors. In this article, we introduce $\texttt{Persformer}$, the first Transformer neural network architecture that accepts persistence diagrams as input. The $\texttt{Persformer}$ architecture significantly outperforms previous topological neural network architectures on classical synthetic and graph benchmark datasets. Moreover, it satisfies a universal approximation theorem. This allows us to introduce the first interpretability method for topological machine learning, which we explore in two examples.

Finite element discretizations of problems in computational physics often rely on adaptive mesh refinement (AMR) to preferentially resolve regions containing important features during simulation. However, these spatial refinement strategies are often heuristic and rely on domain-specific knowledge or trial-and-error. We treat the process of adaptive mesh refinement as a local, sequential decision-making problem under incomplete information, formulating AMR as a partially observable Markov decision process. Using a deep reinforcement learning approach, we train policy networks for AMR strategy directly from numerical simulation. The training process does not require an exact solution or a high-fidelity ground truth to the partial differential equation at hand, nor does it require a pre-computed training dataset. The local nature of our reinforcement learning formulation allows the policy network to be trained inexpensively on much smaller problems than those on which they are deployed. The methodology is not specific to any particular partial differential equation, problem dimension, or numerical discretization, and can flexibly incorporate diverse problem physics. To that end, we apply the approach to a diverse set of partial differential equations, using a variety of high-order discontinuous Galerkin and hybridizable discontinuous Galerkin finite element discretizations. We show that the resultant deep reinforcement learning policies are competitive with common AMR heuristics, generalize well across problem classes, and strike a favorable balance between accuracy and cost such that they often lead to a higher accuracy per problem degree of freedom.

This paper develops simple feed-forward neural networks that achieve the universal approximation property for all continuous functions with a fixed finite number of neurons. These neural networks are simple because they are designed with a simple, computable, and continuous activation function $\sigma$ leveraging a triangular-wave function and the softsign function. We first prove that $\sigma$-activated networks with width $36d(2d+1)$ and depth $11$ can approximate any continuous function on a $d$-dimensional hypercube within an arbitrarily small error. Hence, for supervised learning and its related regression problems, the hypothesis space generated by these networks with a size not smaller than $36d(2d+1)\times 11$ is dense in the continuous function space $C([a,b]^d)$ and therefore dense in the Lebesgue spaces $L^p([a,b]^d)$ for $p\in [1,\infty)$. Furthermore, we show that classification functions arising from image and signal classification are in the hypothesis space generated by $\sigma$-activated networks with width $36d(2d+1)$ and depth $12$ when there exist pairwise disjoint bounded closed subsets of $\mathbb{R}^d$ such that the samples of the same class are located in the same subset. Finally, we use numerical experimentation to show that replacing the rectified linear unit (ReLU) activation function by ours would improve the experiment results.

We introduce MedMNIST v2, a large-scale MNIST-like dataset collection of standardized biomedical images, including 12 datasets for 2D and 6 datasets for 3D. All images are pre-processed into a small size of 28x28 (2D) or 28x28x28 (3D) with the corresponding classification labels so that no background knowledge is required for users. Covering primary data modalities in biomedical images, MedMNIST v2 is designed to perform classification on lightweight 2D and 3D images with various dataset scales (from 100 to 100,000) and diverse tasks (binary/multi-class, ordinal regression, and multi-label). The resulting dataset, consisting of 708,069 2D images and 10,214 3D images in total, could support numerous research / educational purposes in biomedical image analysis, computer vision, and machine learning. We benchmark several baseline methods on MedMNIST v2, including 2D / 3D neural networks and open-source / commercial AutoML tools. The data and code are publicly available at https://medmnist.com/.  ( 3 min )

Neural architecture search (NAS) for transformers has been used to create state-of-the-art models that target certain latency constraints. In this work we present Bigger&Faster, a novel quantization-aware parameter sharing NAS that finds architectures for 8-bit integer (int8) quantized transformers. Our results show that our method is able to produce BERT models that outperform the current state-of-the-art technique, AutoTinyBERT, at all latency targets we tested, achieving up to a 2.68% accuracy gain. Additionally, although the models found by our technique have a larger number of parameters than their float32 counterparts, due to their parameters being int8, they have significantly smaller memory footprints.

Since radiology reports needed for clinical practice and research are written and stored in free-text narrations, extraction of relative information for further analysis is difficult. In these circumstances, natural language processing (NLP) techniques can facilitate automatic information extraction and transformation of free-text formats to structured data. In recent years, deep learning (DL)-based models have been adapted for NLP experiments with promising results. Despite the significant potential of DL models based on artificial neural networks (ANN) and convolutional neural networks (CNN), the models face some limitations to implement in clinical practice. Transformers, another new DL architecture, have been increasingly applied to improve the process. Therefore, in this study, we propose a transformer-based fine-grained named entity recognition (NER) architecture for clinical information extraction. We collected 88 abdominopelvic sonography reports in free-text formats and annotated them based on our developed information schema. The text-to-text transfer transformer model (T5) and Scifive, a pre-trained domain-specific adaptation of the T5 model, were applied for fine-tuning to extract entities and relations and transform the input into a structured format. Our transformer-based model in this study outperformed previously applied approaches such as ANN and CNN models based on ROUGE-1, ROUGE-2, ROUGE-L, and BLEU scores of 0.816, 0.668, 0.528, and 0.743, respectively, while providing an interpretable structured report.

Stochastic partial differential equations (SPDEs) are the mathematical tool of choice for modelling spatiotemporal PDE-dynamics under the influence of randomness. Based on the notion of mild solution of an SPDE, we introduce a novel neural architecture to learn solution operators of PDEs with (possibly stochastic) forcing from partially observed data. The proposed Neural SPDE model provides an extension to two popular classes of physics-inspired architectures. On the one hand, it extends Neural CDEs and variants -- continuous-time analogues of RNNs -- in that it is capable of processing incoming sequential information arriving at arbitrary spatial resolutions. On the other hand, it extends Neural Operators -- generalizations of neural networks to model mappings between spaces of functions -- in that it can parameterize solution operators of SPDEs depending simultaneously on the initial condition and a realization of the driving noise. By performing operations in the spectral domain, we show how a Neural SPDE can be evaluated in two ways, either by calling an ODE solver (emulating a spectral Galerkin scheme), or by solving a fixed point problem. Experiments on various semilinear SPDEs, including the stochastic Navier-Stokes equations, demonstrate how the Neural SPDE model is capable of learning complex spatiotemporal dynamics in a resolution-invariant way, with better accuracy and lighter training data requirements compared to alternative models, and up to 3 orders of magnitude faster than traditional solvers.  ( 3 min )

Deep learning architecture with convolutional neural network (CNN) achieves outstanding success in the field of computer vision. Where U-Net, an encoder-decoder architecture structured by CNN, makes a great breakthrough in biomedical image segmentation and has been applied in a wide range of practical scenarios. However, the equal design of every downsampling layer in the encoder part and simply stacked convolutions do not allow U-Net to extract sufficient information of features from different depths. The increasing complexity of medical images brings new challenges to the existing methods. In this paper, we propose a deeper and more compact split-attention u-shape network (DCSAU-Net), which efficiently utilises low-level and high-level semantic information based on two novel frameworks: primary feature conservation and compact split-attention block. We evaluate the proposed model on CVC-ClinicDB, 2018 Data Science Bowl, ISIC-2018 and SegPC-2021 datasets. As a result, DCSAU-Net displays better performance than other state-of-the-art (SOTA) methods in terms of the mean Intersection over Union (mIoU) and F1-socre. More significantly, the proposed model demonstrates excellent segmentation performance on challenging images. The code for our work and more technical details can be found at https://github.com/xq141839/DCSAU-Net.  ( 3 min )

Vision transformers (ViT) have shown promise in various vision tasks including low-level ones while the U-Net remains dominant in score-based diffusion models. In this paper, we perform a systematical empirical study on the ViT-based architectures in diffusion models. Our results suggest that adding extra long skip connections (like the U-Net) to ViT is crucial to diffusion models. The new ViT architecture, together with other improvements, is referred to as U-ViT. On several popular visual datasets, U-ViT achieves competitive generation results to SOTA U-Net while requiring comparable amount of parameters and computation if not less.

Continual Learning (CL) sequentially learns new tasks like human beings, with the goal to achieve better Stability (S, remembering past tasks) and Plasticity (P, adapting to new tasks). Due to the fact that past training data is not available, it is valuable to explore the influence difference on S and P among training examples, which may improve the learning pattern towards better SP. Inspired by Influence Function (IF), we first study example influence via adding perturbation to example weight and computing the influence derivation. To avoid the storage and calculation burden of Hessian inverse in neural networks, we propose a simple yet effective MetaSP algorithm to simulate the two key steps in the computation of IF and obtain the S- and P-aware example influence. Moreover, we propose to fuse two kinds of example influence by solving a dual-objective optimization problem, and obtain a fused influence towards SP Pareto optimality. The fused influence can be used to control the update of model and optimize the storage of rehearsal. Empirical results show that our algorithm significantly outperforms state-of-the-art methods on both task- and class-incremental benchmark CL datasets.

Deep neural networks require specific layers to process point clouds, as the scattered and irregular location of points prevents us from using convolutional filters. Here we introduce the composite layer, a new convolutional operator for point clouds. The peculiarity of our composite layer is that it extracts and compresses the spatial information from the position of points before combining it with their feature vectors. Compared to well-known point-convolutional layers such as those of ConvPoint and KPConv, our composite layer provides additional regularization and guarantees greater flexibility in terms of design and number of parameters. To demonstrate the design flexibility, we also define an aggregate composite layer that combines spatial information and features in a nonlinear manner, and we use these layers to implement a convolutional and an aggregate CompositeNet. We train our CompositeNets to perform classification and, most remarkably, unsupervised anomaly detection. Our experiments on synthetic and real-world datasets show that, in both tasks, our CompositeNets outperform ConvPoint and achieve similar results as KPConv despite having a much simpler architecture. Moreover, our CompositeNets substantially outperform existing solutions for anomaly detection on point clouds.

Anomaly detection has recently gained increasing attention in the field of computer vision, likely due to its broad set of applications ranging from product fault detection on industrial production lines and impending event detection in video surveillance to finding lesions in medical scans. Regardless of the domain, anomaly detection is typically framed as a one-class classification task, where the learning is conducted on normal examples only. An entire family of successful anomaly detection methods is based on learning to reconstruct masked normal inputs (e.g. patches, future frames, etc.) and exerting the magnitude of the reconstruction error as an indicator for the abnormality level. Unlike other reconstruction-based methods, we present a novel self-supervised masked convolutional transformer block (SSMCTB) that comprises the reconstruction-based functionality at a core architectural level. The proposed self-supervised block is extremely flexible, enabling information masking at any layer of a neural network and being compatible with a wide range of neural architectures. In this work, we extend our previous self-supervised predictive convolutional attentive block (SSPCAB) with a 3D masked convolutional layer, as well as a transformer for channel-wise attention. Furthermore, we show that our block is applicable to a wider variety of tasks, adding anomaly detection in medical images and thermal videos to the previously considered tasks based on RGB images and surveillance videos. We exhibit the generality and flexibility of SSMCTB by integrating it into multiple state-of-the-art neural models for anomaly detection, bringing forth empirical results that confirm considerable performance improvements on five benchmarks: MVTec AD, BRATS, Avenue, ShanghaiTech, and Thermal Rare Event. We release our code and data as open source at https://github.com/ristea/ssmctb.

The availability of well-curated datasets has driven the success of Machine Learning (ML) models. Despite the increased access to earth observation data for agriculture, there is a scarcity of curated, labelled datasets, which limits the potential of its use in training ML models for remote sensing (RS) in agriculture. To this end, we introduce a first-of-its-kind dataset, SICKLE, having time-series images at different spatial resolutions from 3 different satellites, annotated with multiple key cropping parameters for paddy cultivation for the Cauvery Delta region in Tamil Nadu, India. The dataset comprises of 2,398 season-wise samples from 388 unique plots distributed across 4 districts of the Delta. The dataset covers multi-spectral, thermal and microwave data between the time period January 2018-March 2021. The paddy samples are annotated with 4 key cropping parameters, i.e. sowing date, transplanting date, harvesting date and crop yield. This is one of the first studies to consider the growing season (using sowing and harvesting dates) as part of a dataset. We also propose a yield prediction strategy that uses time-series data generated based on the observed growing season and the standard seasonal information obtained from Tamil Nadu Agricultural University for the region. The consequent performance improvement highlights the impact of ML techniques that leverage domain knowledge that are consistent with standard practices followed by farmers in a specific region. We benchmark the dataset on 3 separate tasks, namely crop type, phenology date (sowing, transplanting, harvesting) and yield prediction, and develop an end-to-end framework for predicting key crop parameters in a real-world setting.

Cross-lingual transfer learning has proven useful in a variety of Natural Language Processing (NLP) tasks, but it is understudied in the context of legal NLP, and not at all in Legal Judgment Prediction (LJP). We explore transfer learning techniques on LJP using the trilingual Swiss-Judgment-Prediction dataset, including cases written in three languages. We find that cross-lingual transfer improves the overall results across languages, especially when we use adapter-based fine-tuning. Finally, we further improve the model's performance by augmenting the training dataset with machine-translated versions of the original documents, using a 3x larger training corpus. Further on, we perform an analysis exploring the effect of cross-domain and cross-regional transfer, i.e., train a model across domains (legal areas), or regions. We find that in both settings (legal areas, origin regions), models trained across all groups perform overall better, while they also have improved results in the worst-case scenarios. Finally, we report improved results when we ambitiously apply cross-jurisdiction transfer, where we further augment our dataset with Indian legal cases.

Traditional machine learning methods have been widely studied in financial innovation. My study focuses on the application of deep learning methods on asset pricing. I investigate various deep learning methods for asset pricing, especially for risk premia measurement. All models take the same set of predictive signals (firm characteristics, systematic risks and macroeconomics). I demonstrate high performance of all kinds of state-of-the-art (SOTA) deep learning methods, and figure out that RNNs with memory mechanism and attention have the best performance in terms of predictivity. Furthermore, I demonstrate large economic gains to investors using deep learning forecasts. The results of my comparative experiments highlight the importance of domain knowledge and financial theory when designing deep learning models. I also show return prediction tasks bring new challenges to deep learning. The time varying distribution causes distribution shift problem, which is essential for financial time series prediction. I demonstrate that deep learning methods can improve asset risk premium measurement. Due to the booming deep learning studies, they can constantly promote the study of underlying financial mechanisms behind asset pricing. I also propose a promising research method that learning from data and figuring out the underlying economic mechanisms through explainable artificial intelligence (AI) methods. My findings not only justify the value of deep learning in blooming fintech development, but also highlight their prospects and advantages over traditional machine learning methods.

Various parameters affect the performance of students in online coding competitions. Students' behavior, approach, emotions, and problem difficulty levels significantly impact their performance in online coding competitions. We have organized two coding competitions to understand the effects of the above parameters. We have done the online survey at the end of each coding competition, and it contains questions related to the behavior, approach, and emotions of students during online coding competitions. Students are evaluated based on the time and status of the submissions. We have carried out a detailed analysis to address the impact of students' approach, behavior, and emotions on the learning process in online coding competitions. Two difficulty levels are proposed based on the time and status of submissions. The impact of difficulty levels on machine learning-based performance prediction is presented in this research work. Based on time, the coding solution submissions have two classes "Less than 15 minutes" and "More than 15 minutes". There are three classes, "Complete solution", "Partial solution", and "Not submitted at all," based on the submission status. The appropriate approaches are found for both the coding competitions to submit the solution within 15 minutes. Machine learning classifiers are trained and evaluated for the above classification problems. The impacts of mood, emotions, and difficulty levels on the learning process are also assessed by comparing the results of machine learning models for both coding competitions.  ( 3 min )

Providing formal safety and performance guarantees for autonomous systems is becoming increasingly important as they are integrated in our society. Hamilton-Jacobi (HJ) reachability analysis is a popular formal verification tool for providing these guarantees, since it can handle general nonlinear system dynamics, bounded adversarial system disturbances, and state and input constraints. However, it involves solving a PDE, whose computational and memory complexity scales exponentially with respect to the state dimensionality, making its direct use on large-scale systems intractable. A recently proposed method called DeepReach overcomes this challenge by leveraging a sinusoidal neural network PDE solver for high-dimensional reachability problems, whose computational requirements scale with the complexity of the underlying reachable tube rather than the state space dimension. Unfortunately, neural networks can make errors and thus the computed solution may not be safe, which falls short of achieving our overarching goal to provide formal safety assurances. In this work, we propose a method to compute an error bound for the DeepReach solution. This error bound can then be used for reachable tube correction, resulting in a provably safe approximation of the true reachable tube. We also propose a scenario optimization-based approach to compute this error bound for general nonlinear dynamical systems. We demonstrate the efficacy of the proposed approach in obtaining reachable tubes for high-dimensional rocket-landing and multi-vehicle collision-avoidance problems.

We present a temporally extended variation of the successor representation, which we term t-SR. t-SR captures the expected state transition dynamics of temporally extended actions by constructing successor representations over primitive action repeats. This form of temporal abstraction does not learn a top-down hierarchy of pertinent task structures, but rather a bottom-up composition of coupled actions and action repetitions. This lessens the amount of decisions required in control without learning a hierarchical policy. As such, t-SR directly considers the time horizon of temporally extended action sequences without the need for predefined or domain-specific options. We show that in environments with dynamic reward structure, t-SR is able to leverage both the flexibility of the successor representation and the abstraction afforded by temporally extended actions. Thus, in a series of sparsely rewarded gridworld environments, t-SR optimally adapts learnt policies far faster than comparable value-based, model-free reinforcement learning methods. We also show that the manner in which t-SR learns to solve these tasks requires the learnt policy to be sampled consistently less often than non-temporally extended policies.

Non-contrastive methods of self-supervised learning (such as BYOL and SimSiam) learn representations by minimizing the distance between two views of the same image. These approaches have achieved remarkable performance in practice, but the theoretical understanding lags behind. Tian et al. 2021 explained why the representation does not collapse to zero, however, how the feature is learned still remains mysterious. In our work, we prove in a linear network, non-contrastive methods learn a desirable projection matrix and also reduce the sample complexity on downstream tasks. Our analysis suggests that weight decay acts as an implicit threshold that discards the features with high variance under data augmentations, and keeps the features with low variance. Inspired by our theory, we design a simpler and more computationally efficient algorithm DirectCopy by removing the eigen-decomposition step in the original DirectPred algorithm in Tian et al. 2021. Our experiments show that DirectCopy rivals or even outperforms DirectPred on STL-10, CIFAR-10, CIFAR-100, and ImageNet.  ( 2 min )

Recently a multi-agent variant of the classical multi-armed bandit was proposed to tackle fairness issues in online learning. Inspired by a long line of work in social choice and economics, the goal is to optimize the Nash social welfare instead of the total utility. Unfortunately previous algorithms either are not efficient or achieve sub-optimal regret in terms of the number of rounds $T$. We propose a new efficient algorithm with lower regret than even previous inefficient ones. For $N$ agents, $K$ arms, and $T$ rounds, our approach has a regret bound of $\tilde{O}(\sqrt{NKT} + NK)$. This is an improvement to the previous approach, which has regret bound of $\tilde{O}( \min(NK, \sqrt{N} K^{3/2})\sqrt{T})$. We also complement our efficient algorithm with an inefficient approach with $\tilde{O}(\sqrt{KT} + N^2K)$ regret. The experimental findings confirm the effectiveness of our efficient algorithm compared to the previous approaches.

In traditional astronomies across the world, groups of stars in the night sky were linked into constellations -- symbolic representations rich in meaning and with practical roles. In some sky cultures, constellations are represented as line (or connect-the-dot) figures, which are spatial networks drawn over the fixed background of stars. We analyse 1802 line figures from 56 sky cultures spanning all continents, in terms of their network, spatial, and brightness features, and ask what associations exist between these visual features and culture type or sky region. First, an embedded map of constellations is learnt, to show clusters of line figures. We then form the network of constellations (as linked by their similarity), to study how similar cultures are by computing their assortativity (or homophily) over the network. Finally, we measure the diversity (or entropy) index for the set of constellations drawn per sky region. Our results show distinct types of line figures, and that many folk astronomies with oral traditions have widespread similarities in constellation design, which do not align with cultural ancestry. In a minority of sky regions, certain line designs appear universal, but this is not the norm: in the majority of sky regions, the line geometries are diverse.

We study the problem of online dynamic pricing with two types of fairness constraints: a "procedural fairness" which requires the proposed prices to be equal in expectation among different groups, and a "substantive fairness" which requires the accepted prices to be equal in expectation among different groups. A policy that is simultaneously procedural and substantive fair is referred to as "doubly fair". We show that a doubly fair policy must be random to have higher revenue than the best trivial policy that assigns the same price to different groups. In a two-group setting, we propose an online learning algorithm for the 2-group pricing problems that achieves $\tilde{O}(\sqrt{T})$ regret, zero procedural unfairness and $\tilde{O}(\sqrt{T})$ substantive unfairness over $T$ rounds of learning. We also prove two lower bounds showing that these results on regret and unfairness are both information-theoretically optimal up to iterated logarithmic factors. To the best of our knowledge, this is the first dynamic pricing algorithm that learns to price while satisfying two fairness constraints at the same time.

In the study of subsurface seismic imaging, solving the acoustic wave equation is a pivotal component in existing models. With the advancement of deep learning, neural networks are applied to numerically solve partial differential equations by learning the mapping between the inputs and the solution of the equation, the wave equation in particular, since traditional methods can be time consuming if numerous instances are to be solved. Previous works that concentrate on solving the wave equation by neural networks consider either a single velocity model or multiple simple velocity models, which is restricted in practice. Therefore, inspired by the idea of operator learning, this work leverages the Fourier neural operator (FNO) to effectively learn the frequency domain seismic wavefields under the context of variable velocity models. Moreover, we propose a new framework paralleled Fourier neural operator (PFNO) for efficiently training the FNO-based solver given multiple source locations and frequencies. Numerical experiments demonstrate the high accuracy of both FNO and PFNO with complicated velocity models in the OpenFWI datasets. Furthermore, the cross-dataset generalization test verifies that PFNO adapts to out-of-distribution velocity models. Also, PFNO has robust performance in the presence of random noise in the labels. Finally, PFNO admits higher computational efficiency on large-scale testing datasets, compared with the traditional finite-difference method. The aforementioned advantages endow the FNO-based solver with the potential to build powerful models for research on seismic waves.  ( 3 min )

Blood vessels of the brain provide the human brain with the required nutrients and oxygen. As a vulnerable part of the cerebral blood supply, pathology of small vessels can cause serious problems such as Cerebral Small Vessel Diseases (CSVD). It has also been shown that CSVD is related to neurodegeneration, such as Alzheimer's disease. With the advancement of 7 Tesla MRI systems, higher spatial image resolution can be achieved, enabling the depiction of very small vessels in the brain. Non-Deep Learning-based approaches for vessel segmentation, e.g., Frangi's vessel enhancement with subsequent thresholding, are capable of segmenting medium to large vessels but often fail to segment small vessels. The sensitivity of these methods to small vessels can be increased by extensive parameter tuning or by manual corrections, albeit making them time-consuming, laborious, and not feasible for larger datasets. This paper proposes a deep learning architecture to automatically segment small vessels in 7 Tesla 3D Time-of-Flight (ToF) Magnetic Resonance Angiography (MRA) data. The algorithm was trained and evaluated on a small imperfect semi-automatically segmented dataset of only 11 subjects; using six for training, two for validation, and three for testing. The deep learning model based on U-Net Multi-Scale Supervision was trained using the training subset and was made equivariant to elastic deformations in a self-supervised manner using deformation-aware learning to improve the generalisation performance. The proposed technique was evaluated quantitatively and qualitatively against the test set and achieved a Dice score of 80.44 $\pm$ 0.83. Furthermore, the result of the proposed method was compared against a selected manually segmented region (62.07 resultant Dice) and has shown a considerable improvement (18.98\%) with deformation-aware learning.

We investigate a nonstochastic bandit setting in which the loss of an action is not immediately charged to the player, but rather spread over the subsequent rounds in an adversarial way. The instantaneous loss observed by the player at the end of each round is then a sum of many loss components of previously played actions. This setting encompasses as a special case the easier task of bandits with delayed feedback, a well-studied framework where the player observes the delayed losses individually. Our first contribution is a general reduction transforming a standard bandit algorithm into one that can operate in the harder setting: We bound the regret of the transformed algorithm in terms of the stability and regret of the original algorithm. Then, we show that the transformation of a suitably tuned FTRL with Tsallis entropy has a regret of order $\sqrt{(d+1)KT}$, where $d$ is the maximum delay, $K$ is the number of arms, and $T$ is the time horizon. Finally, we show that our results cannot be improved in general by exhibiting a matching (up to a log factor) lower bound on the regret of any algorithm operating in this setting.  ( 3 min )

The concept of small modular reactor has changed the outlook for tackling future energy crises. This new reactor technology is very promising considering its lower investment requirements, modularity, design simplicity, and enhanced safety features. The application of artificial intelligence-driven multi-scale modeling (neutronics, thermal hydraulics, fuel performance, etc.) incorporating Digital Twin and associated uncertainties in the research of small modular reactors is a recent concept. In this work, a comprehensive study is conducted on the multiscale modeling of accident-tolerant fuels. The application of these fuels in the light water-based small modular reactors is explored. This chapter also focuses on the application of machine learning and artificial intelligence in the design optimization, control, and monitoring of small modular reactors. Finally, a brief assessment of the research gap on the application of artificial intelligence to the development of high burnup composite accident-tolerant fuels is provided. Necessary actions to fulfill these gaps are also discussed.

In the past few years, Convolutional Neural Networks (CNN) have demonstrated promising performance in various real-world cybersecurity applications, such as network and multimedia security. However, the underlying fragility of CNN structures poses major security problems, making them inappropriate for use in security-oriented applications including such computer networks. Protecting these architectures from adversarial attacks necessitates using security-wise architectures that are challenging to attack. In this study, we present a novel architecture based on an ensemble classifier that combines the enhanced security of 1-Class classification (known as 1C) with the high performance of conventional 2-Class classification (known as 2C) in the absence of attacks.Our architecture is referred to as the 1.5-Class (SPRITZ-1.5C) classifier and constructed using a final dense classifier, one 2C classifier (i.e., CNNs), and two parallel 1C classifiers (i.e., auto-encoders). In our experiments, we evaluated the robustness of our proposed architecture by considering eight possible adversarial attacks in various scenarios. We performed these attacks on the 2C and SPRITZ-1.5C architectures separately. The experimental results of our study showed that the Attack Success Rate (ASR) of the I-FGSM attack against a 2C classifier trained with the N-BaIoT dataset is 0.9900. In contrast, the ASR is 0.0000 for the SPRITZ-1.5C classifier.

Histone modifications play a critical role in gene regulation. Consequently, predicting gene expression from histone modification signals is a highly motivated problem in epigenetics. We build upon the work of DeepChrome by Singh et al. (2016), who trained classifiers that map histone modification signals to gene expression. We present a novel visualization technique for providing insight into combinatorial relationships among histone modifications for gene regulation that uses a generative adversarial network to generate histone modification signals. We also explore and compare various architectural changes, with results suggesting that the 645k-parameter convolutional neural network from DeepChrome has the same predictive power as a 12-parameter linear network. Results from cross-cell prediction experiments, where the model is trained and tested on datasets of varying sizes, cell-types, and correlations, suggest the relationship between histone modification signals and gene expression is independent of cell type. We release our PyTorch re-implementation of DeepChrome on GitHub \footnote{\url{github.com/ssss1029/gene_expression_294}}.\parfillskip=0pt

This paper proposes a sensor data anonymization model that is trained on decentralized data and strikes a desirable trade-off between data utility and privacy, even in heterogeneous settings where the collected sensor data have different underlying distributions. Our anonymization model, dubbed Blinder, is based on a variational autoencoder and discriminator networks trained in an adversarial fashion. We use the model-agnostic meta-learning framework to adapt the anonymization model trained via federated learning to each user's data distribution. We evaluate Blinder under different settings and show that it provides end-to-end privacy protection at the cost of increasing privacy loss by up to 4.00% and decreasing data utility by up to 4.24%, compared to the state-of-the-art anonymization model trained on centralized data. Our experiments confirm that Blinder can obscure multiple private attributes at once, and has sufficiently low power consumption and computational overhead for it to be deployed on edge devices and smartphones to perform real-time anonymization of sensor data.

Estimating the causal effects of a spatially-varying intervention on a spatially-varying outcome may be subject to non-local confounding (NLC), a phenomenon that can bias estimates when the treatments and outcomes of a given unit are dictated in part by the covariates of other nearby units. In particular, NLC is a challenge for evaluating the effects of environmental policies and climate events on health-related outcomes such as air pollution exposure. This paper first formalizes NLC using the potential outcomes framework, providing a comparison with the related phenomenon of causal interference. Then, it proposes a broadly applicable framework, termed "weather2vec", that uses the theory of balancing scores to learn representations of non-local information into a scalar or vector defined for each observational unit, which is subsequently used to adjust for confounding in conjunction with causal inference methods. The framework is evaluated in a simulation study and two case studies on air pollution where the weather is an (inherently regional) known confounder.

We study the problem of deleting user data from machine learning models trained using empirical risk minimization. Our focus is on learning algorithms which return the empirical risk minimizer and approximate unlearning algorithms that comply with deletion requests that come streaming minibatches. Leveraging the infintesimal jacknife, we develop an online unlearning algorithm that is both computationally and memory efficient. Unlike prior memory efficient unlearning algorithms, we target models that minimize objectives with non-smooth regularizers, such as the commonly used $\ell_1$, elastic net, or nuclear norm penalties. We also provide generalization, deletion capacity, and unlearning guarantees that are consistent with state of the art methods. Across a variety of benchmark datasets, our algorithm empirically improves upon the runtime of prior methods while maintaining the same memory requirements and test accuracy. Finally, we open a new direction of inquiry by proving that all approximate unlearning algorithms introduced so far fail to unlearn in problem settings where common hyperparameter tuning methods, such as cross-validation, have been used to select models.

Predicting human intention is critical to facilitating safe and efficient human-robot collaboration (HRC). However, it is challenging to build data-driven models for human intention prediction. One major challenge is due to the diversity and noise in human motion data. It is expensive to collect a massive motion dataset that comprehensively covers all possible scenarios, which leads to the scarcity of human motion data in certain scenarios, and therefore, causes difficulties in constructing robust and reliable intention predictors. To address the challenge, this paper proposes an iterative adversarial data augmentation (IADA) framework to learn neural network models from an insufficient amount of training data. The method uses neural network verification to identify the most "confusing" input samples and leverages expert guidance to safely and iteratively augment the training data with these samples. The proposed framework is applied to collected human datasets. The experiments demonstrate that our method can achieve more robust and accurate prediction performance compared to existing training methods.  ( 2 min )

We investigate the possibility of using animals videos to improve Reinforcement Learning (RL) efficiency and performance. Under a theoretical perspective, we motivate the use of weighted policy optimization for off-policy RL, describe the main challenges when learning from videos and propose solutions. We test our ideas both in offline and online RL and show encouraging results on a series of 2D navigation tasks.

Sparsity of the User-POI matrix is a well established problem for next POI recommendation, which hinders effective learning of user preferences. Focusing on a more granular extension of the problem, we propose a Joint Triplet Loss Learning (JTLL) module for the Next New ($N^2$) POI recommendation task, which is more challenging. Our JTLL module first computes additional training samples from the users' historical POI visit sequence, then, a designed triplet loss function is proposed to decrease and increase distances of POI and user embeddings based on their respective relations. Next, the JTLL module is jointly trained with recent approaches to additionally learn unvisited relations for the recommendation task. Experiments conducted on two known real-world LBSN datasets show that our joint training module was able to improve the performances of recent existing works.  ( 2 min )

Learning-based behavior prediction methods are increasingly being deployed in real-world autonomous systems, e.g., in fleets of self-driving vehicles, which are beginning to commercially operate in major cities across the world. Despite their advancements, however, the vast majority of prediction systems are specialized to a set of well-explored geographic regions or operational design domains, complicating deployment to additional cities, countries, or continents. Towards this end, we present a novel method for efficiently adapting behavior prediction models to new environments. Our approach leverages recent advances in meta-learning, specifically Bayesian regression, to augment existing behavior prediction models with an adaptive layer that enables efficient domain transfer via offline fine-tuning, online adaptation, or both. Experiments across multiple real-world datasets demonstrate that our method can efficiently adapt to a variety of unseen environments.

Recently cloud-based graph convolutional network (GCN) has demonstrated great success and potential in many privacy-sensitive applications such as personal healthcare and financial systems. Despite its high inference accuracy and performance on cloud, maintaining data privacy in GCN inference, which is of paramount importance to these practical applications, remains largely unexplored. In this paper, we take an initial attempt towards this and develop $\textit{CryptoGCN}$--a homomorphic encryption (HE) based GCN inference framework. A key to the success of our approach is to reduce the tremendous computational overhead for HE operations, which can be orders of magnitude higher than its counterparts in the plaintext space. To this end, we develop an approach that can effectively take advantage of the sparsity of matrix operations in GCN inference to significantly reduce the computational overhead. Specifically, we propose a novel AMA data formatting method and associated spatial convolution methods, which can exploit the complex graph structure and perform efficient matrix-matrix multiplication in HE computation and thus greatly reduce the HE operations. We also develop a co-optimization framework that can explore the trade offs among the accuracy, security level, and computational overhead by judicious pruning and polynomial approximation of activation module in GCNs. Based on the NTU-XVIEW skeleton joint dataset, i.e., the largest dataset evaluated homomorphically by far as we are aware of, our experimental results demonstrate that $\textit{CryptoGCN}$ outperforms state-of-the-art solutions in terms of the latency and number of homomorphic operations, i.e., achieving as much as a 3.10$\times$ speedup on latency and reduces the total Homomorphic Operation Count by 77.4\% with a small accuracy loss of 1-1.5$\%$.

Recent approximations to backpropagation (BP) have mitigated many of BP's computational inefficiencies and incompatibilities with biology, but important limitations still remain. Moreover, the approximations significantly decrease accuracy in benchmarks, suggesting that an entirely different approach may be more fruitful. Here, grounded on recent theory for Hebbian learning in soft winner-take-all networks, we present multilayer SoftHebb, i.e. an algorithm that trains deep neural networks, without any feedback, target, or error signals. As a result, it achieves efficiency by avoiding weight transport, non-local plasticity, time-locking of layer updates, iterative equilibria, and (self-) supervisory or other feedback signals -- which were necessary in other approaches. Its increased efficiency and biological compatibility do not trade off accuracy compared to state-of-the-art bio-plausible learning, but rather improve it. With up to five hidden layers and an added linear classifier, accuracies on MNIST, CIFAR-10, STL-10, and ImageNet, respectively reach 99.4%, 80.3%, 76.2%, and 27.3%. In conclusion, SoftHebb shows with a radically different approach from BP that Deep Learning over few layers may be plausible in the brain and increases the accuracy of bio-plausible machine learning.

Representing a board game and its positions by text-based notation enables the possibility of NLP applications. Language models, can help gain insight into a variety of interesting problems such as unsupervised learning rules of a game, detecting player behavior patterns, player attribution, and ultimately learning the game to beat state of the art. In this study, we applied BERT models, first to the simple Nim game to analyze its performance in the presence of noise in a setup of a few-shot learning architecture. We analyzed the model performance via three virtual players, namely Nim Guru, Random player, and Q-learner. In the second part, we applied the game learning language model to the chess game, and a large set of grandmaster games with exhaustive encyclopedia openings. Finally, we have shown that model practically learns the rules of the chess game and can survive games against Stockfish at a category-A rating level.

This paper describes a novel machine learning (ML) framework for tropical cyclone intensity and track forecasting, combining multiple ML techniques and utilizing diverse data sources. Our multimodal framework, called Hurricast, efficiently combines spatial-temporal data with statistical data by extracting features with deep-learning encoder-decoder architectures and predicting with gradient-boosted trees. We evaluate our models in the North Atlantic and Eastern Pacific basins on 2016-2019 for 24-hour lead time track and intensity forecasts and show they achieve comparable mean absolute error and skill to current operational forecast models while computing in seconds. Furthermore, the inclusion of Hurricast into an operational forecast consensus model could improve over the National Hurricane Center's official forecast, thus highlighting the complementary properties with existing approaches. In summary, our work demonstrates that utilizing machine learning techniques to combine different data sources can lead to new opportunities in tropical cyclone forecasting.  ( 3 min )

Recently there has been significant theoretical progress on understanding the convergence and generalization of gradient-based methods on nonconvex losses with overparameterized models. Nevertheless, many aspects of optimization and generalization and in particular the critical role of small random initialization are not fully understood. In this paper, we take a step towards demystifying this role by proving that small random initialization followed by a few iterations of gradient descent behaves akin to popular spectral methods. We also show that this implicit spectral bias from small random initialization, which is provably more prominent for overparameterized models, also puts the gradient descent iterations on a particular trajectory towards solutions that are not only globally optimal but also generalize well. Concretely, we focus on the problem of reconstructing a low-rank matrix from a few measurements via a natural nonconvex formulation. In this setting, we show that the trajectory of the gradient descent iterations from small random initialization can be approximately decomposed into three phases: (I) a spectral or alignment phase where we show that that the iterates have an implicit spectral bias akin to spectral initialization allowing us to show that at the end of this phase the column space of the iterates and the underlying low-rank matrix are sufficiently aligned, (II) a saddle avoidance/refinement phase where we show that the trajectory of the gradient iterates moves away from certain degenerate saddle points, and (III) a local refinement phase where we show that after avoiding the saddles the iterates converge quickly to the underlying low-rank matrix. Underlying our analysis are insights for the analysis of overparameterized nonconvex optimization schemes that may have implications for computational problems beyond low-rank reconstruction.  ( 3 min )

We consider representation learning on periodic graphs encoding crystal materials. Different from regular graphs, periodic graphs consist of a minimum unit cell repeating itself on a regular lattice in 3D space. How to effectively encode these periodic structures poses unique challenges not present in regular graph representation learning. In addition to being E(3) invariant, periodic graph representations need to be periodic invariant. That is, the learned representations should be invariant to shifts of cell boundaries as they are artificially imposed. Furthermore, the periodic repeating patterns need to be captured explicitly as lattices of different sizes and orientations may correspond to different materials. In this work, we propose a transformer architecture, known as Matformer, for periodic graph representation learning. Our Matformer is designed to be invariant to periodicity and can capture repeating patterns explicitly. In particular, Matformer encodes periodic patterns by efficient use of geometric distances between the same atoms in neighboring cells. Experimental results on multiple common benchmark datasets show that our Matformer outperforms baseline methods consistently. In addition, our results demonstrate the importance of periodic invariance and explicit repeating pattern encoding for crystal representation learning.

This report explains, implements and extends the works presented in "Tighter Variational Bounds are Not Necessarily Better" (T Rainforth et al., 2018). We provide theoretical and empirical evidence that increasing the number of importance samples $K$ in the importance weighted autoencoder (IWAE) (Burda et al., 2016) degrades the signal-to-noise ratio (SNR) of the gradient estimator in the inference network and thereby affecting the full learning process. In other words, even though increasing $K$ decreases the standard deviation of the gradients, it also reduces the magnitude of the true gradient faster, thereby increasing the relative variance of the gradient updates. Extensive experiments are performed to understand the importance of $K$. These experiments suggest that tighter variational bounds are beneficial for the generative network, whereas looser bounds are preferable for the inference network. With these insights, three methods are implemented and studied: the partially importance weighted autoencoder (PIWAE), the multiply importance weighted autoencoder (MIWAE) and the combination importance weighted autoencoder (CIWAE). Each of these three methods entails IWAE as a special case but employs the importance weights in different ways to ensure a higher SNR of the gradient estimators. In our research study and analysis, the efficacy of these algorithms is tested on multiple datasets such as MNIST and Omniglot. Finally, we demonstrate that the three presented IWAE variations are able to generate approximate posterior distributions that are much closer to the true posterior distribution than for the IWAE, while matching the performance of the IWAE generative network or potentially outperforming it in the case of PIWAE.

"Induction heads" are attention heads that implement a simple algorithm to complete token sequences like [A][B] ... [A] -> [B]. In this work, we present preliminary and indirect evidence for a hypothesis that induction heads might constitute the mechanism for the majority of all "in-context learning" in large transformer models (i.e. decreasing loss at increasing token indices). We find that induction heads develop at precisely the same point as a sudden sharp increase in in-context learning ability, visible as a bump in the training loss. We present six complementary lines of evidence, arguing that induction heads may be the mechanistic source of general in-context learning in transformer models of any size. For small attention-only models, we present strong, causal evidence; for larger models with MLPs, we present correlational evidence.

We say an algorithm is batch size-invariant if changes to the batch size can largely be compensated for by changes to other hyperparameters. Stochastic gradient descent is well-known to have this property at small batch sizes, via the learning rate. However, some policy optimization algorithms (such as PPO) do not have this property, because of how they control the size of policy updates. In this work we show how to make these algorithms batch size-invariant. Our key insight is to decouple the proximal policy (used for controlling policy updates) from the behavior policy (used for off-policy corrections). Our experiments help explain why these algorithms work, and additionally show how they can make more efficient use of stale data.  ( 2 min )

Production forecast based on historical data provides essential value for developing hydrocarbon resources. Classic history matching workflow is often computationally intense and geometry-dependent. Analytical data-driven models like decline curve analysis (DCA) and capacitance resistance models (CRM) provide a grid-free solution with a relatively simple model capable of integrating some degree of physics constraints. However, the analytical solution may ignore subsurface geometries and is appropriate only for specific flow regimes and otherwise may violate physics conditions resulting in degraded model prediction accuracy. Machine learning-based predictive model for time series provides non-parametric, assumption-free solutions for production forecasting, but are prone to model overfit due to training data sparsity; therefore may be accurate over short prediction time intervals. We propose a grid-free, physics-informed graph neural network (PI-GNN) for production forecasting. A customized graph convolution layer aggregates neighborhood information from historical data and has the flexibility to integrate domain expertise into the data-driven model. The proposed method relaxes the dependence on close-form solutions like CRM and honors the given physics-based constraints. Our proposed method is robust, with improved performance and model interpretability relative to the conventional CRM and GNN baseline without physics constraints.

The vast majority of statistical theory on binary classification characterizes performance in terms of accuracy. However, accuracy is known in many cases to poorly reflect the practical consequences of classification error, most famously in imbalanced binary classification, where data are dominated by samples from one of two classes. The first part of this paper derives a novel generalization of the Bayes-optimal classifier from accuracy to any performance metric computed from the confusion matrix. Specifically, this result (a) demonstrates that stochastic classifiers sometimes outperform the best possible deterministic classifier and (b) removes an empirically unverifiable absolute continuity assumption that is poorly understood but pervades existing results. We then demonstrate how to use this generalized Bayes classifier to obtain regret bounds in terms of the error of estimating regression functions under uniform loss. Finally, we use these results to develop some of the first finite-sample statistical guarantees specific to imbalanced binary classification. Specifically, we demonstrate that optimal classification performance depends on properties of class imbalance, such as a novel notion called Uniform Class Imbalance, that have not previously been formalized. We further illustrate these contributions numerically in the case of $k$-nearest neighbor classification

The theory of identifiable representation learning aims to build general-purpose methods that extract high-level latent (causal) factors from low-level sensory data. Most existing works focus on identifiable representation learning with observational data, relying on distributional assumptions on latent (causal) factors. However, in practice, we often also have access to interventional data for representation learning. How can we leverage interventional data to help identify high-level latents? To this end, we explore the role of interventional data for identifiable representation learning in this work. We study the identifiability of latent causal factors with and without interventional data, under minimal distributional assumptions on the latents. We prove that, if the true latent variables map to the observed high-dimensional data via a polynomial function, then representation learning via minimizing the standard reconstruction loss of autoencoders identifies the true latents up to affine transformation. If we further have access to interventional data generated by hard $do$ interventions on some of the latents, then we can identify these intervened latents up to permutation, shift and scaling.

Session-based recommender systems (SBRSs) have shown superior performance over conventional methods. However, they show limited scalability on large-scale industrial datasets since most models learn one embedding per item. This leads to a large memory requirement (of storing one vector per item) and poor performance on sparse sessions with cold-start or unpopular items. Using one public and one large industrial dataset, we experimentally show that state-of-the-art SBRSs have low performance on sparse sessions with sparse items. We propose M2TRec, a Metadata-aware Multi-task Transformer model for session-based recommendations. Our proposed method learns a transformation function from item metadata to embeddings, and is thus, item-ID free (i.e., does not need to learn one embedding per item). It integrates item metadata to learn shared representations of diverse item attributes. During inference, new or unpopular items will be assigned identical representations for the attributes they share with items previously observed during training, and thus will have similar representations with those items, enabling recommendations of even cold-start and sparse items. Additionally, M2TRec is trained in a multi-task setting to predict the next item in the session along with its primary category and subcategories. Our multi-task strategy makes the model converge faster and significantly improves the overall performance. Experimental results show significant performance gains using our proposed approach on sparse items on the two datasets.

In this paper, we predict conditional survival functions through a combined regression strategy. We take weak learners as different random survival trees. We propose to maximize concordance in the right-censored set up to find the optimal parameters. We explore two approaches, a usual survival cobra and a novel weighted predictor based on the concordance index. Our proposed formulations use two different norms, say, Max-norm and Frobenius norm, to find a proximity set of predictions from query points in the test dataset. We illustrate our algorithms through three different real-life dataset implementations.

Regionalization is the act of breaking a dataset into contiguous homogeneous regions that are heterogeneous from each other. Many different algorithms exist for performing regionalization; however, using these algorithms on large real world data sets have only become feasible in terms of compute power in recent years. Very few studies have been done comparing different regionalization methods, and those that do lack analysis in memory, scalability, geographic metrics, and large-scale real-world applications. This study compares state-of-the-art regionalization methods, namely, Agglomerative Clustering, SKATER, REDCAP, AZP, and Max-P-Regions using real world social determinant of health (SDOH) data. The scale of real world SDOH data, up to 1 million data points in this study, not only compares the algorithms over different data sets but provides a stress test for each individual regionalization algorithm, most of which have never been run on such scales previously. We use several new geographic metrics to compare algorithms as well as perform a comparative memory analysis. The prevailing regionalization method is then compared with unconstrained K-Means clustering on their ability to separate real health data in Virginia and Washington DC.

The lack of large labeled medical imaging datasets, along with significant inter-individual variability compared to clinically established disease classes, poses significant challenges in exploiting medical imaging information in a precision medicine paradigm, where in principle dense patient-specific data can be employed to formulate individual predictions and/or stratify patients into finer-grained groups which may follow more homogeneous trajectories and therefore empower clinical trials. In order to efficiently explore the effective degrees of freedom underlying variability in medical images in an unsupervised manner, in this work we propose an unsupervised autoencoder framework which is augmented with a contrastive loss to encourage high separability in the latent space. The model is validated on (medical) benchmark datasets. As cluster labels are assigned to each example according to cluster assignments, we compare performance with a supervised transfer learning baseline. Our method achieves similar performance to the supervised architecture, indicating that separation in the latent space reproduces expert medical observer-assigned labels. The proposed method could be beneficial for patient stratification, exploring new subdivisions of larger classes or pathological continua or, due to its sampling abilities in a variation setting, data augmentation in medical image processing.

In this paper, we present our solution to the MuSe-Humor sub-challenge of the Multimodal Emotional Challenge (MuSe) 2022. The goal of the MuSe-Humor sub-challenge is to detect humor and calculate AUC from audiovisual recordings of German football Bundesliga press conferences. It is annotated for humor displayed by the coaches. For this sub-challenge, we first build a discriminant model using the transformer module and BiLSTM module, and then propose a hybrid fusion strategy to use the prediction results of each modality to improve the performance of the model. Our experiments demonstrate the effectiveness of our proposed model and hybrid fusion strategy on multimodal fusion, and the AUC of our proposed model on the test set is 0.8972.

EEG signals are complex and low-frequency signals. Therefore, they are easily influenced by external factors. EEG artifact removal is crucial in neuroscience because artifacts have a significant impact on the results of EEG analysis. The removal of ocular artifacts is the most challenging among these artifacts. In this study, a novel ocular artifact removal method is presented by developing bidirectional long-short term memory (BiLSTM)-based deep learning (DL) models. We created a benchmarking dataset to train and test proposed DL models by combining the EEGdenoiseNet and DEAP datasets. We also augmented the data by contaminating ground-truth clean EEG signals with EOG at various SNR levels. The BiLSTM network is then fed to features extracted from augmented signals using highly-localized time-frequency (TF) coefficients obtained by wavelet synchrosqueezed transform (WSST). We also compare the WSST-based DL model results with traditional TF analysis (TFA) methods namely short-time Fourier transformation (STFT) and continuous wavelet transform (CWT) as well as augmented raw signals. The best average MSE value of 0.3066 was obtained by the first time-proposed BiLSTM-based WSST-Net model. Our results demonstrated the WSST-Net model significantly improves artifact removal performance compared to traditional TF and raw signal methods. Also, the proposed EOG removal approach reveals that it outperforms many conventional and DL-based ocular artifact removal methods in the literature.

To address the monaural speech enhancement problem, numerous research studies have been conducted to enhance speech via operations either in time-domain on the inner-domain learned from the speech mixture or in time--frequency domain on the fixed full-band short time Fourier transform (STFT) spectrograms. Very recently, a few studies on sub-band based speech enhancement have been proposed. By enhancing speech via operations on sub-band spectrograms, those studies demonstrated competitive performances on the benchmark dataset of DNS2020. Despite attractive, this new research direction has not been fully explored and there is still room for improvement. As such, in this study, we delve into the latest research direction and propose a sub-band based speech enhancement system with perceptually-motivated optimization and dual transformations, called PT-FSE. Specially, our proposed PT-FSE model improves its backbone, a full-band and sub-band fusion model, by three efforts. First, we design a frequency transformation module that aims to strengthen the global frequency correlation. Then a temporal transformation is introduced to capture long range temporal contexts. Lastly, a novel loss, with leverage of properties of human auditory perception, is proposed to facilitate the model to focus on low frequency enhancement. To validate the effectiveness of our proposed model, extensive experiments are conducted on the DNS2020 dataset. Experimental results show that our PT-FSE system achieves substantial improvements over its backbone, but also outperforms the current state-of-the-art while being 27\% smaller than the SOTA. With average NB-PESQ of 3.57 on the benchmark dataset, our system offers the best speech enhancement results reported till date.

We propose three novel pruning techniques to improve the cost and results of inference-aware Differentiable Neural Architecture Search (DNAS). First, we introduce , a stochastic bi-path building block for DNAS, which can search over inner hidden dimensions with memory and compute complexity. Second, we present an algorithm for pruning blocks within a stochastic layer of the SuperNet during the search. Third, we describe a novel technique for pruning unnecessary stochastic layers during the search. The optimized models resulting from the search are called PruNet and establishes a new state-of-the-art Pareto frontier for NVIDIA V100 in terms of inference latency for ImageNet Top-1 image classification accuracy. PruNet as a backbone also outperforms GPUNet and EfficientNet on the COCO object detection task on inference latency relative to mean Average Precision (mAP).

We study and introduce new gradient operators in the complex and bicomplex settings, inspired from the well-known Least Mean Square (LMS) algorithm invented in 1960 by Widrow and Hoff for Adaptive Linear Neuron (ADALINE). These gradient operators will be used to formulate new learning rules for the Bicomplex Least Mean Square (BLMS) algorithms. This approach extends both the classical real and complex LMS algorithms.

Scientists often use observational time series data to study complex natural processes, from climate change to civil conflict to brain activity. But regression analyses of these data often assume simplistic dynamics. Recent advances in deep learning have yielded startling improvements to the performance of models of complex processes, from speech comprehension to nuclear physics to competitive gaming. But deep learning is generally not used for scientific analysis. Here, we bridge this gap by showing that deep learning can be used, not just to imitate, but to analyze complex processes, providing flexible function approximation while preserving interpretability. Our approach -- the continuous-time deconvolutional regressive neural network (CDRNN) -- relaxes standard simplifying assumptions (e.g., linearity, stationarity, and homoscedasticity) that are implausible for many natural systems and may critically affect the interpretation of data. We evaluate CDRNNs on incremental human language processing, a domain with complex continuous dynamics. We demonstrate dramatic improvements to predictive likelihood in behavioral and neuroimaging data, and we show that CDRNNs enable flexible discovery of novel patterns in exploratory analyses, provide robust control of possible confounds in confirmatory analyses, and open up research questions that are otherwise hard to study using observational data.  ( 2 min )

In recent years, neuroscientists have been interested to the development of brain-computer interface (BCI) devices. Patients with motor disorders may benefit from BCIs as a means of communication and for the restoration of motor functions. Electroencephalography (EEG) is one of most used for evaluating the neuronal activity. In many computer vision applications, deep neural networks (DNN) show significant advantages. Towards to ultimate usage of DNN, we present here a shallow neural network that uses mainly two convolutional neural network (CNN) layers, with relatively few parameters and fast to learn spectral-temporal features from EEG. We compared this models to three other neural network models with different depths applied to a mental arithmetic task using eye-closed state adapted for patients suffering from motor disorders and a decline in visual functions. Experimental results showed that the shallow CNN model outperformed all the other models and achieved the highest classification accuracy of 90.68%. It's also more robust to deal with cross-subject classification issues: only 3% standard deviation of accuracy instead of 15.6% from conventional method.

Missing value is a very common and unavoidable problem in sensors, and researchers have made numerous attempts for missing value imputation, particularly in deep learning models. However, for real sensor data, the specific data distribution and data periods are rarely considered, making it difficult to choose the appropriate evaluation indexes and models for different sensors. To address this issue, this study proposes a multistage imputation framework based on deep learning with adaptability for missing value imputation. The model presents a mixture measurement index of low- and higher-order statistics for data distribution and a new perspective on data imputation performance metrics, which is more adaptive and effective than the traditional mean squared error. A multistage imputation strategy and dynamic data length are introduced into the imputation process for data periods. Experimental results on different types of sensor data show that the multistage imputation strategy and the mixture index are superior and that the effect of missing value imputation has been improved to some extent, particularly for the large segment imputation problem. The codes and experimental results have been uploaded to GitHub.

Active learning, which effectively collects informative unlabeled data for annotation, reduces the demand for labeled data. In this work, we propose to retrieve unlabeled samples with a local sensitivity and hardness-aware acquisition function. The proposed method generates data copies through local perturbations and selects data points whose predictive likelihoods diverge the most from their copies. We further empower our acquisition function by injecting the select-worst case perturbation. Our method achieves consistent gains over the commonly used active learning strategies in various classification tasks. Furthermore, we observe consistent improvements over the baselines on the study of prompt selection in prompt-based few-shot learning. These experiments demonstrate that our acquisition guided by local sensitivity and hardness can be effective and beneficial for many NLP tasks.

Domain adaptation using graph-structured networks learns label-discriminative and network-invariant node embeddings by sharing graph parameters. Most existing works focus on domain adaptation of homogeneous networks. The few works that study heterogeneous cases only consider shared node types but ignore private node types in individual networks. However, for given source and target heterogeneous networks, they generally contain shared and private node types, where private types bring an extra challenge for graph domain adaptation. In this paper, we investigate Heterogeneous Information Networks (HINs) with both shared and private node types and propose a Generalized Domain Adaptive model across HINs (GDA-HIN) to handle the domain shift between them. GDA-HIN can not only align the distribution of identical-type nodes and edges in two HINs but also make full use of different-type nodes and edges to improve the performance of knowledge transfer. Extensive experiments on several datasets demonstrate that GDA-HIN can outperform state-of-the-art methods in various domain adaptation tasks across heterogeneous networks.

Large pre-trained language models have shown promising results in a wide array of tasks such as narrative generation, question answering, and machine translation. Likewise, the current trend in literature has deeply focused on controlling salient properties of generated texts including sentiment, topic, and coherence to produce more human-like outputs. In this work, we introduce Uniform Complexity for Text Generation or UCTG which serves as a challenge to make existing models generate uniformly complex text with respect to inputs or prompts used. For example, if the reading level of an input text prompt is appropriate for low-leveled learners (ex. A2 in the CEFR), then the generated text by an NLG system should also assume this particular level for increased readability. In a controlled narrative generation task, we surveyed over 160 linguistic and cognitively-motivated features for evaluating text readability and found out that GPT-2 models and even humans struggle in preserving the linguistic complexity of input prompts used. Ultimately, we lay down potential methods and approaches which can be incorporated into the general framework of steering language models towards addressing this important challenge.

In this paper we establish a bridge between Topological Data Analysis and Geometric Deep Learning, adapting the topological theory of group equivariant non-expansive operators (GENEOs) to act on the space of all graphs weighted on vertices or edges. This is done by showing how the general concept of GENEO can be used to transform graphs and to give information about their structure. This requires the introduction of the new concepts of generalized permutant and generalized permutant measure and the mathematical proof that these concepts allow us to build GENEOs between graphs. An experimental section concludes the paper, illustrating the possible use of our operators to extract information from graphs. This paper is part of a line of research devoted to developing a compositional and geometric theory of GENEOs for Geometric Deep Learning.

As children grow older, they develop an intuitive understanding of the physical processes around them. They move along developmental trajectories, which have been mapped out extensively in previous empirical research. We investigate how children's developmental trajectories compare to the learning trajectories of artificial systems. Specifically, we examine the idea that cognitive development results from some form of stochastic optimization procedure. For this purpose, we train a modern generative neural network model using stochastic gradient descent. We then use methods from the developmental psychology literature to probe the physical understanding of this model at different degrees of optimization. We find that the model's learning trajectory captures the developmental trajectories of children, thereby providing support to the idea of development as stochastic optimization.

Graph Neural Networks (GNNs) are powerful deep learning methods for Non-Euclidean data. Popular GNNs are message-passing algorithms (MPNNs) that aggregate and combine signals in a local graph neighborhood. However, shallow MPNNs tend to miss long-range signals and perform poorly on some heterophilous graphs, while deep MPNNs can suffer from issues like over-smoothing or over-squashing. To mitigate such issues, existing works typically borrow normalization techniques from training neural networks on Euclidean data or modify the graph structures. Yet these approaches are not well-understood theoretically and could increase the overall computational complexity. In this work, we draw inspirations from spectral graph embedding and propose $\texttt{PowerEmbed}$ -- a simple layer-wise normalization technique to boost MPNNs. We show $\texttt{PowerEmbed}$ can provably express the top-$k$ leading eigenvectors of the graph operator, which prevents over-smoothing and is agnostic to the graph topology; meanwhile, it produces a list of representations ranging from local features to global signals, which avoids over-squashing. We apply $\texttt{PowerEmbed}$ in a wide range of simulated and real graphs and demonstrate its competitive performance, particularly for heterophilous graphs.

Cold start is an essential and persistent problem in recommender systems. State-of-the-art solutions rely on training hybrid models for both cold-start and existing users/items, based on the auxiliary information. Such a hybrid model would compromise the performance of existing users/items, which might make these solutions not applicable in real-worlds recommender systems where the experience of existing users/items must be guaranteed. Meanwhile, graph neural networks (GNNs) have been demonstrated to perform effectively warm (non-cold-start) recommendations. However, they have never been applied to handle the cold-start problem in a user-item bipartite graph. This is a challenging but rewarding task since cold-start users/items do not have links. Besides, it is nontrivial to design an appropriate GNN to conduct cold-start recommendations while maintaining the performance for existing users/items. To bridge the gap, we propose a tailored GNN-based framework (GPatch) that contains two separate but correlated components. First, an efficient GNN architecture -- GWarmer, is designed to model the warm users/items. Second, we construct correlated Patching Networks to simulate and patch GWarmer by conducting cold-start recommendations. Experiments on benchmark and large-scale commercial datasets demonstrate that GPatch is significantly superior in providing recommendations for both existing and cold-start users/items.

Deep learning models have achieved impressive prediction performance but often sacrifice interpretability, a critical consideration in high-stakes domains such as healthcare or policymaking. In contrast, generalized additive models (GAMs) can maintain interpretability but often suffer from poor prediction performance due to their inability to effectively capture feature interactions. In this work, we aim to bridge this gap by using pre-trained neural language models to extract embeddings for each input before learning a linear model in the embedding space. The final model (which we call Emb-GAM) is a transparent, linear function of its input features and feature interactions. Leveraging the language model allows Emb-GAM to learn far fewer linear coefficients, model larger interactions, and generalize well to novel inputs (e.g. unseen ngrams in text). Across a variety of natural-language-processing datasets, Emb-GAM achieves strong prediction performance without sacrificing interpretability. All code is made available on Github.

Conventional automatic doors cannot distinguish between people wishing to pass through the door and people passing by the door, so they often open unnecessarily. This leads to the need to adopt new systems in both commercial and non-commercial environments: smart doors. In particular, a smart door system predicts the intention of people near the door based on the social context of the surrounding environment and then makes rational decisions about whether or not to open the door. This work proposes the first position paper related to smart doors, without bells and whistles. We first point out that the problem not only concerns reliability, climate control, safety, and mode of operation. Indeed, a system to predict the intention of people near the door also involves a deeper understanding of the social context of the scene through a complex combined analysis of proxemics and scene reasoning. Furthermore, we conduct an exhaustive literature review about automatic doors, providing a novel system formulation. Also, we present an analysis of the possible future application of smart doors, a description of the ethical shortcomings, and legislative issues.

Users are daily exposed to a large volume of harmful content on various social network platforms. One solution is developing online moderation tools using Machine Learning techniques. However, the processing of user data by online platforms requires compliance with privacy policies. Federated Learning (FL) is an ML paradigm where the training is performed locally on the users' devices. Although the FL framework complies, in theory, with the GDPR policies, privacy leaks can still occur. For instance, an attacker accessing the final trained model can successfully perform unwanted inference of the data belonging to the users who participated in the training process. In this paper, we propose a privacy-preserving FL framework for online content moderation that incorporates Differential Privacy (DP). To demonstrate the feasibility of our approach, we focus on detecting harmful content on Twitter - but the overall concept can be generalized to other types of misbehavior. We simulate a text classifier - in FL fashion - which can detect tweets with harmful content. We show that the performance of the proposed FL framework can be close to the centralized approach - for both the DP and non-DP FL versions. Moreover, it has a high performance even if a small number of clients (each with a small number of data points) are available for the FL training. When reducing the number of clients (from 50 to 10) or the data points per client (from 1K to 0.1K), the classifier can still achieve ~81% AUC. Furthermore, we extend the evaluation to four other Twitter datasets that capture different types of user misbehavior and still obtain a promising performance (61% - 80% AUC). Finally, we explore the overhead on the users' devices during the FL training phase and show that the local training does not introduce excessive CPU utilization and memory consumption overhead.

Machine programming (MP) is an emerging field at the intersection of deterministic and probabilistic computing, and it aims to assist software and hardware engineers, among other applications. Along with powerful compute resources, MP systems often rely on vast amount of open-source code to learn interesting properties about code and programming and solve problems in the areas of debugging, code recommendation, auto-completion, etc. Unfortunately, several of the existing MP systems either do not consider quality of code repositories or use atypical quality measures than those typically used in software engineering community to select them. As such, impact of quality of code repositories on the performance of these systems needs to be studied. In this preliminary paper, we evaluate impact of different quality repositories on the performance of a candidate MP system. Towards that objective, we develop a framework, named GitRank, to rank open-source repositories on quality, maintainability, and popularity by leveraging existing research on this topic. We then apply GitRank to evaluate correlation between the quality measures used by the candidate MP system and the quality measures used by our framework. Our preliminary results reveal some correlation between the quality measures used in GitRank and ControlFlag's performance, suggesting that some of the measures used in GitRank are applicable to ControlFlag. But it also raises questions around right quality measures for code repositories used in MP systems. We believe that our findings also generate interesting insights towards code quality measures that affect performance of MP systems.

Cardiovascular diseases are one of the most severe causes of mortality, taking a heavy toll of lives annually throughout the world. The continuous monitoring of blood pressure seems to be the most viable option, but this demands an invasive process, bringing about several layers of complexities. This motivates us to develop a method to predict the continuous arterial blood pressure (ABP) waveform through a non-invasive approach using photoplethysmogram (PPG) signals. In addition we explore the advantage of deep learning as it would free us from sticking to ideally shaped PPG signals only, by making handcrafted feature computation irrelevant, which is a shortcoming of the existing approaches. Thus, we present, PPG2ABP, a deep learning based method, that manages to predict the continuous ABP waveform from the input PPG signal, with a mean absolute error of 4.604 mmHg, preserving the shape, magnitude and phase in unison. However, the more astounding success of PPG2ABP turns out to be that the computed values of DBP, MAP and SBP from the predicted ABP waveform outperforms the existing works under several metrics, despite that PPG2ABP is not explicitly trained to do so.

In this paper, we predict conditional survival functions through a combined regression strategy. We take weak learners as different random survival trees. We propose to maximize concordance in the right-censored set up to find the optimal parameters. We explore two approaches, a usual survival cobra and a novel weighted predictor based on the concordance index. Our proposed formulations use two different norms, say, Max-norm and Frobenius norm, to find a proximity set of predictions from query points in the test dataset. We illustrate our algorithms through three different real-life dataset implementations.

Recently, the seminal algorithms AlphaGo and AlphaZero have started a new era in game learning and deep reinforcement learning. While the achievements of AlphaGo and AlphaZero - playing Go and other complex games at super human level - are truly impressive, these architectures have the drawback that they require high computational resources. Many researchers are looking for methods that are similar to AlphaZero, but have lower computational demands and are thus more easily reproducible. In this paper, we pick an important element of AlphaZero - the Monte Carlo Tree Search (MCTS) planning stage - and combine it with temporal difference (TD) learning agents. We wrap MCTS for the first time around TD n-tuple networks and we use this wrapping only at test time to create versatile agents that keep at the same time the computational demands low. We apply this new architecture to several complex games (Othello, ConnectFour, Rubik's Cube) and show the advantages achieved with this AlphaZero-inspired MCTS wrapper. In particular, we present results that this agent is the first one trained on standard hardware (no GPU or TPU) to beat the very strong Othello program Edax up to and including level 7 (where most other learning-from-scratch algorithms could only defeat Edax up to level 2).  ( 3 min )

We consider the problem of learning Stochastic Differential Equations of the form $dX_t = f(X_t)dt+\sigma(X_t)dW_t $ from one sample trajectory. This problem is more challenging than learning deterministic dynamical systems because one sample trajectory only provides indirect information on the unknown functions $f$, $\sigma$, and stochastic process $dW_t$ representing the drift, the diffusion, and the stochastic forcing terms, respectively. We propose a simple kernel-based solution to this problem that can be decomposed as follows: (1) Represent the time-increment map $X_t \rightarrow X_{t+dt}$ as a Computational Graph in which $f$, $\sigma$ and $dW_t$ appear as unknown functions and random variables. (2) Complete the graph (approximate unknown functions and random variables) via Maximum a Posteriori Estimation (given the data) with Gaussian Process (GP) priors on the unknown functions. (3) Learn the covariance functions (kernels) of the GP priors from data with randomized cross-validation. Numerical experiments illustrate the efficacy, robustness, and scope of our method.

The vast majority of statistical theory on binary classification characterizes performance in terms of accuracy. However, accuracy is known in many cases to poorly reflect the practical consequences of classification error, most famously in imbalanced binary classification, where data are dominated by samples from one of two classes. The first part of this paper derives a novel generalization of the Bayes-optimal classifier from accuracy to any performance metric computed from the confusion matrix. Specifically, this result (a) demonstrates that stochastic classifiers sometimes outperform the best possible deterministic classifier and (b) removes an empirically unverifiable absolute continuity assumption that is poorly understood but pervades existing results. We then demonstrate how to use this generalized Bayes classifier to obtain regret bounds in terms of the error of estimating regression functions under uniform loss. Finally, we use these results to develop some of the first finite-sample statistical guarantees specific to imbalanced binary classification. Specifically, we demonstrate that optimal classification performance depends on properties of class imbalance, such as a novel notion called Uniform Class Imbalance, that have not previously been formalized. We further illustrate these contributions numerically in the case of $k$-nearest neighbor classification

Domain adaptation using graph-structured networks learns label-discriminative and network-invariant node embeddings by sharing graph parameters. Most existing works focus on domain adaptation of homogeneous networks. The few works that study heterogeneous cases only consider shared node types but ignore private node types in individual networks. However, for given source and target heterogeneous networks, they generally contain shared and private node types, where private types bring an extra challenge for graph domain adaptation. In this paper, we investigate Heterogeneous Information Networks (HINs) with both shared and private node types and propose a Generalized Domain Adaptive model across HINs (GDA-HIN) to handle the domain shift between them. GDA-HIN can not only align the distribution of identical-type nodes and edges in two HINs but also make full use of different-type nodes and edges to improve the performance of knowledge transfer. Extensive experiments on several datasets demonstrate that GDA-HIN can outperform state-of-the-art methods in various domain adaptation tasks across heterogeneous networks.

The ever-increasing quantity of multivariate process data is driving a need for skilled engineers to analyze, interpret, and build models from such data. Multivariate data analytics relies heavily on linear algebra, optimization, and statistics and can be challenging for students to understand given that most curricula do not have strong coverage in the latter three topics. This article describes interactive software - the Latent Variable Demonstrator (LAVADE) - for teaching, learning, and understanding latent variable methods. In this software, users can interactively compare latent variable methods such as Partial Least Squares (PLS), and Principal Component Regression (PCR) with other regression methods such as Least Absolute Shrinkage and Selection Operator (lasso), Ridge Regression (RR), and Elastic Net (EN). LAVADE helps to build intuition on choosing appropriate methods, hyperparameter tuning, and model coefficient interpretation, fostering a conceptual understanding of the algorithms' differences. The software contains a data generation method and three chemical process datasets, allowing for comparing results of datasets with different levels of complexity. LAVADE is released as open-source software so that others can apply and advance the tool for use in teaching or research.

We say an algorithm is batch size-invariant if changes to the batch size can largely be compensated for by changes to other hyperparameters. Stochastic gradient descent is well-known to have this property at small batch sizes, via the learning rate. However, some policy optimization algorithms (such as PPO) do not have this property, because of how they control the size of policy updates. In this work we show how to make these algorithms batch size-invariant. Our key insight is to decouple the proximal policy (used for controlling policy updates) from the behavior policy (used for off-policy corrections). Our experiments help explain why these algorithms work, and additionally show how they can make more efficient use of stale data.  ( 2 min )

Spectral clustering is popular among practitioners and theoreticians alike. While performance guarantees for spectral clustering are well understood, recent studies have focused on enforcing ``fairness'' in clusters, requiring them to be ``balanced'' with respect to a categorical sensitive node attribute (e.g. the race distribution in clusters must match the race distribution in the population). In this paper, we consider a setting where sensitive attributes indirectly manifest in an auxiliary \textit{representation graph} rather than being directly observed. This graph specifies node pairs that can represent each other with respect to sensitive attributes and is observed in addition to the usual \textit{similarity graph}. Our goal is to find clusters in the similarity graph while respecting a new individual-level fairness constraint encoded by the representation graph. We develop variants of unnormalized and normalized spectral clustering for this task and analyze their performance under a \emph{fair} planted partition model induced by the representation graph. This model uses both the cluster membership of the nodes and the structure of the representation graph to generate random similarity graphs. To the best of our knowledge, these are the first consistency results for constrained spectral clustering under an individual-level fairness constraint. Numerical results corroborate our theoretical findings.  ( 3 min )

This paper develops simple feed-forward neural networks that achieve the universal approximation property for all continuous functions with a fixed finite number of neurons. These neural networks are simple because they are designed with a simple, computable, and continuous activation function $\sigma$ leveraging a triangular-wave function and the softsign function. We first prove that $\sigma$-activated networks with width $36d(2d+1)$ and depth $11$ can approximate any continuous function on a $d$-dimensional hypercube within an arbitrarily small error. Hence, for supervised learning and its related regression problems, the hypothesis space generated by these networks with a size not smaller than $36d(2d+1)\times 11$ is dense in the continuous function space $C([a,b]^d)$ and therefore dense in the Lebesgue spaces $L^p([a,b]^d)$ for $p\in [1,\infty)$. Furthermore, we show that classification functions arising from image and signal classification are in the hypothesis space generated by $\sigma$-activated networks with width $36d(2d+1)$ and depth $12$ when there exist pairwise disjoint bounded closed subsets of $\mathbb{R}^d$ such that the samples of the same class are located in the same subset. Finally, we use numerical experimentation to show that replacing the rectified linear unit (ReLU) activation function by ours would improve the experiment results.  ( 3 min )

The outbreak of the COVID-19 (Coronavirus disease 2019) pandemic has changed the world. According to the World Health Organization (WHO), there have been more than 100 million confirmed cases of COVID-19, including more than 2.4 million deaths. It is extremely important the early detection of the disease, and the use of medical imaging such as chest X-ray (CXR) and chest Computed Tomography (CCT) have proved to be an excellent solution. However, this process requires clinicians to do it within a manual and time-consuming task, which is not ideal when trying to speed up the diagnosis. In this work, we propose an ensemble classifier based on probabilistic Support Vector Machine (SVM) in order to identify pneumonia patterns while providing information about the reliability of the classification. Specifically, each CCT scan is divided into cubic patches and features contained in each one of them are extracted by applying kernel PCA. The use of base classifiers within an ensemble allows our system to identify the pneumonia patterns regardless of their size or location. Decisions of each individual patch are then combined into a global one according to the reliability of each individual classification: the lower the uncertainty, the higher the contribution. Performance is evaluated in a real scenario, yielding an accuracy of 97.86%. The large performance obtained and the simplicity of the system (use of deep learning in CCT images would result in a huge computational cost) evidence the applicability of our proposal in a real-world environment.  ( 3 min )

Most machine learning (ML) methods assume that the data used in the training phase comes from the target population. However, in practice one often faces dataset shift, which, if not properly taken into account, may decrease the predictive performance of the ML models. In general, if the practitioner knows which type of shift is taking place -- e.g., covariate shift or label shift -- they may apply transfer learning methods to obtain better predictions. Unfortunately, current methods for detecting shift are only designed to detect specific types of shift or cannot formally test their presence. We introduce a general and unified framework that gives insights on how to improve prediction methods by detecting the presence of different types of shift and quantifying how strong they are. Our approach can be used for any data type (tabular/image/text) and both for classification and regression tasks. Moreover, it uses formal hypotheses tests that controls false alarms. We illustrate how our framework is useful in practice using both artificial and real datasets, including an example of how our framework leads to insights that indeed improve the predictive power of a supervised model. Our package for dataset shift detection can be found in https://github.com/felipemaiapolo/detectshift.  ( 3 min )

We benchmark a subseasonal forecasting toolkit of simple learned models that outperform both operational practice and state-of-the-art machine learning and deep learning methods. These models, introduced by Mouatadid et al. (2022), include (a) Climatology++, an adaptive alternative to climatology that, for precipitation, is 9% more accurate and 250% more skillful than the United States operational Climate Forecasting System (CFSv2); (b) CFSv2++, a learned CFSv2 correction that improves temperature and precipitation accuracy by 7-8% and skill by 50-275%; and (c) Persistence++, an augmented persistence model that combines CFSv2 forecasts with lagged measurements to improve temperature and precipitation accuracy by 6-9% and skill by 40-130%. Across the contiguous U.S., the Climatology++, CFSv2++, and Persistence++ toolkit consistently outperforms standard meteorological baselines, state-of-the-art machine and deep learning methods, and the European Centre for Medium-Range Weather Forecasts ensemble.  ( 2 min )

Bandits with knapsacks (BwK) is an influential model of sequential decision-making under uncertainty that incorporates resource consumption constraints. In each round, the decision-maker observes an outcome consisting of a reward and a vector of nonnegative resource consumptions, and the budget of each resource is decremented by its consumption. In this paper we introduce a natural generalization of the stochastic BwK problem that allows non-monotonic resource utilization. In each round, the decision-maker observes an outcome consisting of a reward and a vector of resource drifts that can be positive, negative or zero, and the budget of each resource is incremented by its drift. Our main result is a Markov decision process (MDP) policy that has constant regret against a linear programming (LP) relaxation when the decision-maker knows the true outcome distributions. We build upon this to develop a learning algorithm that has logarithmic regret against the same LP relaxation when the decision-maker does not know the true outcome distributions. We also present a reduction from BwK to our model that shows our regret bound matches existing results.

Graph Neural Networks (GNNs) are powerful deep learning methods for Non-Euclidean data. Popular GNNs are message-passing algorithms (MPNNs) that aggregate and combine signals in a local graph neighborhood. However, shallow MPNNs tend to miss long-range signals and perform poorly on some heterophilous graphs, while deep MPNNs can suffer from issues like over-smoothing or over-squashing. To mitigate such issues, existing works typically borrow normalization techniques from training neural networks on Euclidean data or modify the graph structures. Yet these approaches are not well-understood theoretically and could increase the overall computational complexity. In this work, we draw inspirations from spectral graph embedding and propose $\texttt{PowerEmbed}$ -- a simple layer-wise normalization technique to boost MPNNs. We show $\texttt{PowerEmbed}$ can provably express the top-$k$ leading eigenvectors of the graph operator, which prevents over-smoothing and is agnostic to the graph topology; meanwhile, it produces a list of representations ranging from local features to global signals, which avoids over-squashing. We apply $\texttt{PowerEmbed}$ in a wide range of simulated and real graphs and demonstrate its competitive performance, particularly for heterophilous graphs.

Recently there has been significant theoretical progress on understanding the convergence and generalization of gradient-based methods on nonconvex losses with overparameterized models. Nevertheless, many aspects of optimization and generalization and in particular the critical role of small random initialization are not fully understood. In this paper, we take a step towards demystifying this role by proving that small random initialization followed by a few iterations of gradient descent behaves akin to popular spectral methods. We also show that this implicit spectral bias from small random initialization, which is provably more prominent for overparameterized models, also puts the gradient descent iterations on a particular trajectory towards solutions that are not only globally optimal but also generalize well. Concretely, we focus on the problem of reconstructing a low-rank matrix from a few measurements via a natural nonconvex formulation. In this setting, we show that the trajectory of the gradient descent iterations from small random initialization can be approximately decomposed into three phases: (I) a spectral or alignment phase where we show that that the iterates have an implicit spectral bias akin to spectral initialization allowing us to show that at the end of this phase the column space of the iterates and the underlying low-rank matrix are sufficiently aligned, (II) a saddle avoidance/refinement phase where we show that the trajectory of the gradient iterates moves away from certain degenerate saddle points, and (III) a local refinement phase where we show that after avoiding the saddles the iterates converge quickly to the underlying low-rank matrix. Underlying our analysis are insights for the analysis of overparameterized nonconvex optimization schemes that may have implications for computational problems beyond low-rank reconstruction.

Urbanization and its problems require an in-depth and comprehensive understanding of urban dynamics, especially the complex and diversified lifestyles in modern cities. Digitally acquired data can accurately capture complex human activity, but it lacks the interpretability of demographic data. In this paper, we study a privacy-enhanced dataset of the mobility visitation patterns of 1.2 million people to 1.1 million places in 11 metro areas in the U.S. to detect the latent mobility behaviors and lifestyles in the largest American cities. Despite the considerable complexity of mobility visitations, we found that lifestyles can be automatically decomposed into only 12 latent interpretable activity behaviors on how people combine shopping, eating, working, or using their free time. Rather than describing individuals with a single lifestyle, we find that city dwellers' behavior is a mixture of those behaviors. Those detected latent activity behaviors are equally present across cities and cannot be fully explained by main demographic features. Finally, we find those latent behaviors are associated with dynamics like experienced income segregation, transportation, or healthy behaviors in cities, even after controlling for demographic features. Our results signal the importance of complementing traditional census data with activity behaviors to understand urban dynamics.

We establish a high-dimensional statistical learning framework for individualized asset allocation. Our proposed methodology addresses continuous-action decision-making with a large number of characteristics. We develop a discretization approach to model the effect of continuous actions and allow the discretization frequency to be large and diverge with the number of observations. The value function of continuous-action is estimated using penalized regression with our proposed generalized penalties that are imposed on linear transformations of the model coefficients. We show that our proposed Discretization and Regression with generalized fOlded concaVe penalty on Effect discontinuity (DROVE) approach enjoys desirable theoretical properties and allows for statistical inference of the optimal value associated with optimal decision-making. Empirically, the proposed framework is exercised with the Health and Retirement Study data in finding individualized optimal asset allocation. The results show that our individualized optimal strategy improves the population financial well-being.

Tail averaging improves on Polyak averaging's non-asymptotic behaviour by excluding a number of leading iterates of stochastic optimization from its calculations. In practice, with a finite number of optimization steps and a learning rate that cannot be annealed to zero, tail averaging can get much closer to a local minimum point of the training loss than either the individual iterates or the Polyak average. However, the number of leading iterates to ignore is an important hyperparameter, and starting averaging too early or too late leads to inefficient use of resources or suboptimal solutions. Setting this hyperparameter to improve generalization is even more difficult, especially in the presence of other hyperparameters and overfitting. Furthermore, before averaging starts, the loss is only weakly informative of the final performance, which makes early stopping unreliable. To alleviate these problems, we propose an anytime variant of tail averaging, that has no hyperparameters and approximates the optimal tail at all optimization steps. Our algorithm is based on two running averages with adaptive lengths bounded in terms of the optimal tail length, one of which achieves approximate optimality with some regularity. Requiring only the additional storage for two sets of weights and periodic evaluation of the loss, the proposed two-tailed averaging algorithm is a practical and widely applicable method for improving stochastic optimization.

Rationale is defined as a subset of input features that best explains or supports the prediction by machine learning models. Rationale identification has improved the generalizability and interpretability of neural networks on vision and language data. In graph applications such as molecule and polymer property prediction, identifying representative subgraph structures named as graph rationales plays an essential role in the performance of graph neural networks. Existing graph pooling and/or distribution intervention methods suffer from lack of examples to learn to identify optimal graph rationales. In this work, we introduce a new augmentation operation called environment replacement that automatically creates virtual data examples to improve rationale identification. We propose an efficient framework that performs rationale-environment separation and representation learning on the real and augmented examples in latent spaces to avoid the high complexity of explicit graph decoding and encoding. Comparing against recent techniques, experiments on seven molecular and four polymer real datasets demonstrate the effectiveness and efficiency of the proposed augmentation-based graph rationalization framework.

Machine Learning permeates many industries, which brings new source of benefits for companies. However within the life insurance industry, Machine Learning is not widely used in practice as over the past years statistical models have shown their efficiency for risk assessment. Thus insurers may face difficulties to assess the value of the artificial intelligence. Focusing on the modification of the life insurance industry over time highlights the stake of using Machine Learning for insurers and benefits that it can bring by unleashing data value. This paper reviews traditional actuarial methodologies for survival modeling and extends them with Machine Learning techniques. It points out differences with regular machine learning models and emphasizes importance of specific implementations to face censored data with machine learning models family.In complement to this article, a Python library has been developed. Different open-source Machine Learning algorithms have been adjusted to adapt the specificities of life insurance data, namely censoring and truncation. Such models can be easily applied from this SCOR library to accurately model life insurance risks.

We study the problem of online dynamic pricing with two types of fairness constraints: a "procedural fairness" which requires the proposed prices to be equal in expectation among different groups, and a "substantive fairness" which requires the accepted prices to be equal in expectation among different groups. A policy that is simultaneously procedural and substantive fair is referred to as "doubly fair". We show that a doubly fair policy must be random to have higher revenue than the best trivial policy that assigns the same price to different groups. In a two-group setting, we propose an online learning algorithm for the 2-group pricing problems that achieves $\tilde{O}(\sqrt{T})$ regret, zero procedural unfairness and $\tilde{O}(\sqrt{T})$ substantive unfairness over $T$ rounds of learning. We also prove two lower bounds showing that these results on regret and unfairness are both information-theoretically optimal up to iterated logarithmic factors. To the best of our knowledge, this is the first dynamic pricing algorithm that learns to price while satisfying two fairness constraints at the same time.

We illustrate an approach that can be exploited for constructing neural networks which a priori obey physical laws. We start with a simple single-layer neural network (NN) but refrain from choosing the activation functions yet. Under certain conditions and in the infinite-width limit, we may apply the central limit theorem, upon which the NN output becomes Gaussian. We may then investigate and manipulate the limit network by falling back on Gaussian process (GP) theory. It is observed that linear operators acting upon a GP again yield a GP. This also holds true for differential operators defining differential equations and describing physical laws. If we demand the GP, or equivalently the limit network, to obey the physical law, then this yields an equation for the covariance function or kernel of the GP, whose solution equivalently constrains the model to obey the physical law. The central limit theorem then suggests that NNs can be constructed to obey a physical law by choosing the activation functions such that they match a particular kernel in the infinite-width limit. The activation functions constructed in this way guarantee the NN to a priori obey the physics, up to the approximation error of non-infinite network width. Simple examples of the homogeneous 1D-Helmholtz equation are discussed and compared to naive kernels and activations.

Offline reinforcement learning (RL) provides a promising direction to exploit the massive amount of offline data for complex decision-making tasks. Due to the distribution shift issue, current offline RL algorithms are generally designed to be conservative in value estimation and action selection. However, such conservatism can impair the robustness of learned policies when encountering observation deviation under realistic conditions, such as sensor errors and adversarial attacks. To trade off robustness and conservatism, we propose Robust Offline Reinforcement Learning (RORL) with a novel conservative smoothing technique. In RORL, we explicitly introduce regularization on the policy and the value function for states near the dataset, as well as additional conservative value estimation on these OOD states. Theoretically, we show RORL enjoys a tighter suboptimality bound than recent theoretical results in linear MDPs. We demonstrate that RORL can achieve state-of-the-art performance on the general offline RL benchmark and is considerably robust to adversarial observation perturbations.

We propose a new learning framework that captures the tiered structure of many real-world user-interaction applications, where the users can be divided into two groups based on their different tolerance on exploration risks and should be treated separately. In this setting, we simultaneously maintain two policies $\pi^{\text{O}}$ and $\pi^{\text{E}}$: $\pi^{\text{O}}$ ("O" for "online") interacts with more risk-tolerant users from the first tier and minimizes regret by balancing exploration and exploitation as usual, while $\pi^{\text{E}}$ ("E" for "exploit") exclusively focuses on exploitation for risk-averse users from the second tier utilizing the data collected so far. An important question is whether such a separation yields advantages over the standard online setting (i.e., $\pi^{\text{E}}=\pi^{\text{O}}$) for the risk-averse users. We individually consider the gap-independent vs.~gap-dependent settings. For the former, we prove that the separation is indeed not beneficial from a minimax perspective. For the latter, we show that if choosing Pessimistic Value Iteration as the exploitation algorithm to produce $\pi^{\text{E}}$, we can achieve a constant regret for risk-averse users independent of the number of episodes $K$, which is in sharp contrast to the $\Omega(\log K)$ regret for any online RL algorithms in the same setting, while the regret of $\pi^{\text{O}}$ (almost) maintains its online regret optimality and does not need to compromise for the success of $\pi^{\text{E}}$.

This report explains, implements and extends the works presented in "Tighter Variational Bounds are Not Necessarily Better" (T Rainforth et al., 2018). We provide theoretical and empirical evidence that increasing the number of importance samples $K$ in the importance weighted autoencoder (IWAE) (Burda et al., 2016) degrades the signal-to-noise ratio (SNR) of the gradient estimator in the inference network and thereby affecting the full learning process. In other words, even though increasing $K$ decreases the standard deviation of the gradients, it also reduces the magnitude of the true gradient faster, thereby increasing the relative variance of the gradient updates. Extensive experiments are performed to understand the importance of $K$. These experiments suggest that tighter variational bounds are beneficial for the generative network, whereas looser bounds are preferable for the inference network. With these insights, three methods are implemented and studied: the partially importance weighted autoencoder (PIWAE), the multiply importance weighted autoencoder (MIWAE) and the combination importance weighted autoencoder (CIWAE). Each of these three methods entails IWAE as a special case but employs the importance weights in different ways to ensure a higher SNR of the gradient estimators. In our research study and analysis, the efficacy of these algorithms is tested on multiple datasets such as MNIST and Omniglot. Finally, we demonstrate that the three presented IWAE variations are able to generate approximate posterior distributions that are much closer to the true posterior distribution than for the IWAE, while matching the performance of the IWAE generative network or potentially outperforming it in the case of PIWAE.

Community detection is one of the most important methodological fields of network science, and one which has attracted a significant amount of attention over the past decades. This area deals with the automated division of a network into fundamental building blocks, with the objective of providing a summary of its large-scale structure. Despite its importance and widespread adoption, there is a noticeable gap between what is arguably the state-of-the-art and the methods that are actually used in practice in a variety of fields. Here we attempt to address this discrepancy by dividing existing methods according to whether they have a "descriptive" or an "inferential" goal. While descriptive methods find patterns in networks based on context-dependent notions of community structure, inferential methods articulate generative models, and attempt to fit them to data. In this way, they are able to provide insights into the mechanisms of network formation, and separate structure from randomness in a manner supported by statistical evidence. We review how employing descriptive methods with inferential aims is riddled with pitfalls and misleading answers, and thus should be in general avoided. We argue that inferential methods are more typically aligned with clearer scientific questions, yield more robust results, and should be in many cases preferred. We attempt to dispel some myths and half-truths often believed when community detection is employed in practice, in an effort to improve both the use of such methods as well as the interpretation of their results.

Many modern computational approaches to classical problems in quantitative finance are formulated as empirical loss minimization (ERM), allowing direct applications of classical results from statistical machine learning. These methods, designed to directly construct the optimal feedback representation of hedging or investment decisions, are analyzed in this framework demonstrating their effectiveness as well as their susceptibility to generalization error. Use of classical techniques shows that over-training renders trained investment decisions to become anticipative, and proves overlearning for large hypothesis spaces. On the other hand, non-asymptotic estimates based on Rademacher complexity show the convergence for sufficiently large training sets. These results emphasize the importance of synthetic data generation and the appropriate calibration of complex models to market data. A numerically studied stylized example illustrates these possibilities, including the importance of problem dimension in the degree of overlearning, and the effectiveness of this approach.

This paper addresses the problem of learning a sparse structure Bayesian network from high-dimensional discrete data. Compared to continuous Bayesian networks, learning a discrete Bayesian network is a challenging problem due to the large parameter space. Although many approaches have been developed for learning continuous Bayesian networks, few approaches have been proposed for the discrete ones. In this paper, we address learning Bayesian networks as an optimization problem and propose a score function which guarantees the learnt structure to be a sparse directed acyclic graph. Besides, we implement a block-wised stochastic coordinate descent algorithm to optimize the score function. Specifically, we use a variance reducing method in our optimization algorithm to make the algorithm work efficiently for high-dimensional data. The proposed approach is applied to synthetic data from well-known benchmark networks. The quality, scalability, and robustness of the constructed network are measured. Compared to some competitive approaches, the results reveal that our algorithm outperforms some of the well-known proposed methods.

Uplift modeling is a rapidly growing approach that utilizes causal inference and machine learning methods to directly estimate the heterogeneous treatment effects, which has been widely applied to various online marketplaces to assist large-scale decision-making in recent years. The existing popular models, like causal forest (CF), are limited to either discrete treatments or posing parametric assumptions on the outcome-treatment relationship that may suffer model misspecification. However, continuous treatments (e.g., price, duration) often arise in marketplaces. To alleviate these restrictions, we use a kernel-based doubly robust estimator to recover the non-parametric dose-response functions that can flexibly model continuous treatment effects. Moreover, we propose a generic distance-based splitting criterion to capture the heterogeneity for the continuous treatments. We call the proposed algorithm generalized causal forest (GCF) as it generalizes the use case of CF to a much broader setting. We show the effectiveness of GCF by deriving the asymptotic property of the estimator and comparing it to popular uplift modeling methods on both synthetic and real-world datasets. We implement GCF on Spark and successfully deploy it into a large-scale online pricing system at a leading ride-sharing company. Online A/B testing results further validate the superiority of GCF.

We study the interplay between feedback and communication in a cooperative online learning setting where a network of agents solves a task in which the learners' feedback is determined by an arbitrary graph. We characterize regret in terms of the independence number of the strong product between the feedback graph and the communication network. Our analysis recovers as special cases many previously known bounds for distributed online learning with either expert or bandit feedback. A more detailed version of our results also captures the dependence of the regret on the delay caused by the time the information takes to traverse each graph. Experiments run on synthetic data show that the empirical behavior of our algorithm is consistent with the theoretical results.

Ensemble methods, such as random forests, are popular in applications due to their high predictive accuracy. Existing literature views a random forest prediction as an infinite-order incomplete U-statistic to quantify its uncertainty. However, these methods focus on a small subsampling size of each tree, which is theoretically valid but practically limited. This paper develops an unbiased variance estimator based on incomplete U-statistics, which allows the tree size to be comparable with the overall sample size, making statistical inference possible in a broader range of real applications. Simulation results demonstrate that our estimators enjoy lower bias and more accurate coverage rate without additional computational costs. We also propose a local smoothing procedure to reduce the variation of our estimator, which shows improved numerical performance when the number of trees is relatively small. Further, we investigate the ratio consistency of our proposed variance estimator under specific scenarios. In particular, we develop a new "double U-statistic" formulation to analyze the Hoeffding decomposition of the estimator's variance.

In this work, we provide a characterization of the feature-learning process in two-layer ReLU networks trained by gradient descent on the logistic loss following random initialization. We consider data with binary labels that are generated by an XOR-like function of the input features. We permit a constant fraction of the training labels to be corrupted by an adversary. We show that, although linear classifiers are no better than random guessing for the distribution we consider, two-layer ReLU networks trained by gradient descent achieve generalization error close to the label noise rate. We develop a novel proof technique that shows that at initialization, the vast majority of neurons function as random features that are only weakly correlated with useful features, and the gradient descent dynamics 'amplify' these weak, random features to strong, useful features.

Recently, Daniely and Granot [arXiv:1910.05697] introduced a new notion of complexity called Approximate Description Length (ADL). They used it to derive novel generalization bounds for neural networks, that despite substantial work, were out of reach for more classical techniques such as discretization, Covering Numbers and Rademacher Complexity. In this paper we explore how ADL relates to classical notions of function complexity such as Covering Numbers and VC Dimension. We find that for functions whose range is the reals, ADL is essentially equivalent to these classical complexity measures. However, this equivalence breaks for functions with high dimensional range.

Likelihood-free inference involves inferring parameter values given observed data and a simulator model. The simulator is computer code which takes parameters, performs stochastic calculations, and outputs simulated data. In this work, we view the simulator as a function whose inputs are (1) the parameters and (2) a vector of pseudo-random draws. We attempt to infer all these inputs conditional on the observations. This is challenging as the resulting posterior can be high dimensional and involve strong dependence. We approximate the posterior using normalizing flows, a flexible parametric family of densities. Training data is generated by likelihood-free importance sampling with a large bandwidth value epsilon, which makes the target similar to the prior. The training data is "distilled" by using it to train an updated normalizing flow. The process is iterated, using the updated flow as the importance sampling proposal, and slowly reducing epsilon so the target becomes closer to the posterior. Unlike most other likelihood-free methods, we avoid the need to reduce data to low dimensional summary statistics, and hence can achieve more accurate results. We illustrate our method in two challenging examples on queuing and epidemiology.

Non-contrastive methods of self-supervised learning (such as BYOL and SimSiam) learn representations by minimizing the distance between two views of the same image. These approaches have achieved remarkable performance in practice, but the theoretical understanding lags behind. Tian et al. 2021 explained why the representation does not collapse to zero, however, how the feature is learned still remains mysterious. In our work, we prove in a linear network, non-contrastive methods learn a desirable projection matrix and also reduce the sample complexity on downstream tasks. Our analysis suggests that weight decay acts as an implicit threshold that discards the features with high variance under data augmentations, and keeps the features with low variance. Inspired by our theory, we design a simpler and more computationally efficient algorithm DirectCopy by removing the eigen-decomposition step in the original DirectPred algorithm in Tian et al. 2021. Our experiments show that DirectCopy rivals or even outperforms DirectPred on STL-10, CIFAR-10, CIFAR-100, and ImageNet.

Maximum mean discrepancies (MMDs) like the kernel Stein discrepancy (KSD) have grown central to a wide range of applications, including hypothesis testing, sampler selection, distribution approximation, and variational inference. In each setting, these kernel-based discrepancy measures are required to (i) separate a target P from other probability measures or even (ii) control weak convergence to P. In this article we derive new sufficient and necessary conditions to ensure (i) and (ii). For MMDs on separable metric spaces, we characterize those kernels that separate Bochner embeddable measures and introduce simple conditions for separating all measures with unbounded kernels and for controlling convergence with bounded kernels. We use these results on $\mathbb{R}^d$ to substantially broaden the known conditions for KSD separation and convergence control and to develop the first KSDs known to exactly metrize weak convergence to P. Along the way, we highlight the implications of our results for hypothesis testing, measuring and improving sample quality, and sampling with Stein variational gradient descent.

The theory of identifiable representation learning aims to build general-purpose methods that extract high-level latent (causal) factors from low-level sensory data. Most existing works focus on identifiable representation learning with observational data, relying on distributional assumptions on latent (causal) factors. However, in practice, we often also have access to interventional data for representation learning. How can we leverage interventional data to help identify high-level latents? To this end, we explore the role of interventional data for identifiable representation learning in this work. We study the identifiability of latent causal factors with and without interventional data, under minimal distributional assumptions on the latents. We prove that, if the true latent variables map to the observed high-dimensional data via a polynomial function, then representation learning via minimizing the standard reconstruction loss of autoencoders identifies the true latents up to affine transformation. If we further have access to interventional data generated by hard $do$ interventions on some of the latents, then we can identify these intervened latents up to permutation, shift and scaling.

We analyze feature learning in infinite-width neural networks trained with gradient flow through a self-consistent dynamical field theory. We construct a collection of deterministic dynamical order parameters which are inner-product kernels for hidden unit activations and gradients in each layer at pairs of time points, providing a reduced description of network activity through training. These kernel order parameters collectively define the hidden layer activation distribution, the evolution of the neural tangent kernel, and consequently output predictions. We show that the field theory derivation recovers the recursive stochastic process of infinite-width feature learning networks obtained from Yang and Hu (2021) with Tensor Programs . For deep linear networks, these kernels satisfy a set of algebraic matrix equations. For nonlinear networks, we provide an alternating sampling procedure to self-consistently solve for the kernel order parameters. We provide comparisons of the self-consistent solution to various approximation schemes including the static NTK approximation, gradient independence assumption, and leading order perturbation theory, showing that each of these approximations can break down in regimes where general self-consistent solutions still provide an accurate description. Lastly, we provide experiments in more realistic settings which demonstrate that the loss and kernel dynamics of CNNs at fixed feature learning strength is preserved across different widths on a CIFAR classification task.

While a broad range of techniques have been proposed to tackle distribution shift, the simple baseline of training on an $\textit{undersampled}$ balanced dataset often achieves close to state-of-the-art-accuracy across several popular benchmarks. This is rather surprising, since undersampling algorithms discard excess majority group data. To understand this phenomenon, we ask if learning is fundamentally constrained by a lack of minority group samples. We prove that this is indeed the case in the setting of nonparametric binary classification. Our results show that in the worst case, an algorithm cannot outperform undersampling unless there is a high degree of overlap between the train and test distributions (which is unlikely to be the case in real-world datasets), or if the algorithm leverages additional structure about the distribution shift. In particular, in the case of label shift we show that there is always an undersampling algorithm that is minimax optimal. In the case of group-covariate shift we show that there is an undersampling algorithm that is minimax optimal when the overlap between the group distributions is small. We also perform an experimental case study on a label shift dataset and find that in line with our theory, the test accuracy of robust neural network classifiers is constrained by the number of minority samples.

The equivalence of realizable and agnostic learnability is a fundamental phenomenon in learning theory. With variants ranging from classical settings like PAC learning and regression to recent trends such as adversarially robust and private learning, it's surprising that we still lack a unified theory; traditional proofs of the equivalence tend to be disparate, and rely on strong model-specific assumptions like uniform convergence and sample compression. In this work, we give the first model-independent framework explaining the equivalence of realizable and agnostic learnability: a three-line blackbox reduction that simplifies, unifies, and extends our understanding across a wide variety of settings. This includes models with no known characterization of learnability such as learning with arbitrary distributional assumptions or general loss, as well as a host of other popular settings such as robust learning, partial learning, fair learning, and the statistical query model. More generally, we argue that the equivalence of realizable and agnostic learning is actually a special case of a broader phenomenon we call property generalization: any desirable property of a learning algorithm (e.g.\ noise tolerance, privacy, stability) that can be satisfied over finite hypothesis classes extends (possibly in some variation) to any learnable hypothesis class.

Variational Bayesian inference is an important machine-learning tool that finds application from statistics to robotics. The goal is to find an approximate probability density function (PDF) from a chosen family that is in some sense 'closest' to the full Bayesian posterior. Closeness is typically defined through the selection of an appropriate loss functional such as the Kullback-Leibler (KL) divergence. In this paper, we explore a new formulation of variational inference by exploiting the fact that (most) PDFs are members of a Bayesian Hilbert space under careful definitions of vector addition, scalar multiplication and an inner product. We show that, under the right conditions, variational inference based on KL divergence can amount to iterative projection, in the Euclidean sense, of the Bayesian posterior onto a subspace corresponding to the selected approximation family. We work through the details of this general framework for the specific case of the Gaussian approximation family and show the equivalence to another Gaussian variational inference approach. We furthermore discuss the implications for systems that exhibit sparsity, which is handled naturally in Bayesian space, and give an example of a high-dimensional robotic state estimation problem that can be handled as a result. We provide some preliminary examples of how the approach could be applied to non-Gaussian inference and discuss the limitations of the approach in detail to encourage follow-on work along these lines.

Generative flow networks (GFlowNets) are a family of algorithms for training a sequential sampler of discrete objects under an unnormalized target density and have been successfully used for various probabilistic modeling tasks. Existing training objectives for GFlowNets are either local to states or transitions, or propagate a reward signal over an entire sampling trajectory. We argue that these alternatives represent opposite ends of a gradient bias-variance tradeoff and propose a way to exploit this tradeoff to mitigate its harmful effects. Inspired by the TD($\lambda$) algorithm in reinforcement learning, we introduce subtrajectory balance or SubTB($\lambda$), a GFlowNet training objective that can learn from partial action subsequences of varying lengths. We show that SubTB($\lambda$) accelerates sampler convergence in previously studied and new environments and enables training GFlowNets in environments with longer action sequences and sparser reward landscapes than what was possible before. We also perform a comparative analysis of stochastic gradient dynamics, shedding light on the bias-variance tradeoff in GFlowNet training and the advantages of subtrajectory balance.

We introduce a new visual-interactive tool: Explainable Labeling Assistant (XLabel) that takes an explainable machine learning approach to data labeling. The main component of XLabel is the Explainable Boosting Machine (EBM), a predictive model that can calculate the contribution of each input feature towards the final prediction. As a case study, we use XLabel to predict the labels of four non-communicable diseases (NCDs): diabetes, hypertension, chronic kidney disease, and dyslipidemia. We demonstrate that EBM is an excellent choice of predictive model by comparing it against a rule-based and four other machine learning models. By performing 5-fold cross-validation on 427 medical records, EBM's prediction accuracy, precision, and F1-score are greater than 0.95 in all four NCDs. It performed as well as two black-box models and outperformed the other models in these metrics. In an additional experiment, when 40% of the records were intentionally mislabeled, EBM could recall the correct labels of more than 90% of these records.  ( 2 min )

Noise is ubiquitous during image acquisition. Sufficient denoising is often an important first step for image processing. In recent decades, deep neural networks (DNNs) have been widely used for image denoising. Most DNN-based image denoising methods require a large-scale dataset or focus on supervised settings, in which single/pairs of clean images or a set of noisy images are required. This poses a significant burden on the image acquisition process. Moreover, denoisers trained on datasets of limited scale may incur over-fitting. To mitigate these issues, we introduce a new self-supervised framework for image denoising based on the Tucker low-rank tensor approximation. With the proposed design, we are able to characterize our denoiser with fewer parameters and train it based on a single image, which considerably improves the model generalizability and reduces the cost of data acquisition. Extensive experiments on both synthetic and real-world noisy images have been conducted. Empirical results show that our proposed method outperforms existing non-learning-based methods (e.g., low-pass filter, non-local mean), single-image unsupervised denoisers (e.g., DIP, NN+BM3D) evaluated on both in-sample and out-sample datasets. The proposed method even achieves comparable performances with some supervised methods (e.g., DnCNN).  ( 2 min )

Hamiltonian Monte Carlo (HMC) is a Markov chain algorithm for sampling from a high-dimensional distribution with density $e^{-f(x)}$, given access to the gradient of $f$. A particular case of interest is that of a $d$-dimensional Gaussian distribution with covariance matrix $\Sigma$, in which case $f(x) = x^\top \Sigma^{-1} x$. We show that HMC can sample from a distribution that is $\varepsilon$-close in total variation distance using $\widetilde{O}(\sqrt{\kappa} d^{1/4} \log(1/\varepsilon))$ gradient queries, where $\kappa$ is the condition number of $\Sigma$. Our algorithm uses long and random integration times for the Hamiltonian dynamics. This contrasts with (and was motivated by) recent results that give an $\widetilde\Omega(\kappa d^{1/2})$ query lower bound for HMC with fixed integration times, even for the Gaussian case.  ( 2 min )

It is common for data structures such as images and shapes of 2D objects to be represented as points on a manifold. The utility of a mechanism to produce sanitized differentially private estimates from such data is intimately linked to how compatible it is with the underlying structure and geometry of the space. In particular, as recently shown, utility of the Laplace mechanism on a positively curved manifold, such as Kendall's 2D shape space, is significantly influences by the curvature. Focusing on the problem of sanitizing the Fr\'echet mean of a sample of points on a manifold, we exploit the characterisation of the mean as the minimizer of an objective function comprised of the sum of squared distances and develop a K-norm gradient mechanism on Riemannian manifolds that favors values that produce gradients close to the the zero of the objective function. For the case of positively curved manifolds, we describe how using the gradient of the squared distance function offers better control over sensitivity than the Laplace mechanism, and demonstrate this numerically on a dataset of shapes of corpus callosa. Further illustrations of the mechanism's utility on a sphere and the manifold of symmetric positive definite matrices are also presented.  ( 3 min )

Despite substantial progress in deep learning approaches to time-series reconstruction, no existing methods are designed to uncover local activities with minute signal strength due to their negligible contribution to the optimization loss. Such local activities however can signify important abnormal events in physiological systems, such as an extra foci triggering an abnormal propagation of electrical waves in the heart. We discuss a novel technique for reconstructing such local activity that, while small in signal strength, is the cause of subsequent global activities that have larger signal strength. Our central innovation is to approach this by explicitly modeling and disentangling how the latent state of a system is influenced by potential hidden internal interventions. In a novel neural formulation of state-space models (SSMs), we first introduce causal-effect modeling of the latent dynamics via a system of interacting neural ODEs that separately describes 1) the continuous-time dynamics of the internal intervention, and 2) its effect on the trajectory of the system's native state. Because the intervention can not be directly observed but have to be disentangled from the observed subsequent effect, we integrate knowledge of the native intervention-free dynamics of a system, and infer the hidden intervention by assuming it to be responsible for differences observed between the actual and hypothetical intervention-free dynamics. We demonstrated a proof-of-concept of the presented framework on reconstructing ectopic foci disrupting the course of normal cardiac electrical propagation from remote observations.  ( 3 min )

In this paper we consider the problem learning of variational models in the context of supervised learning via risk minimization. Our goal is to provide a deeper understanding of the two approaches of learning of variational models via bilevel optimization and via algorithm unrolling. The former considers the variational model as a lower level optimization problem below the risk minimization problem, while the latter replaces the lower level optimization problem by an algorithm that solves said problem approximately. Both approaches are used in practice, but, unrolling is much simpler from a computational point of view. To analyze and compare the two approaches, we consider a simple toy model, and compute all risks and the respective estimators explicitly. We show that unrolling can be better than the bilevel optimization approach, but also that the performance of unrolling can depend significantly on further parameters, sometimes in unexpected ways: While the stepsize of the unrolled algorithm matters a lot, the number of unrolled iterations only matters if the number is even or odd, and these two cases are notably different.  ( 2 min )

In this paper, we propose a new low-rank matrix factorization model dubbed bounded simplex-structured matrix factorization (BSSMF). Given an input matrix $X$ and a factorization rank $r$, BSSMF looks for a matrix $W$ with $r$ columns and a matrix $H$ with $r$ rows such that $X \approx WH$ where the entries in each column of $W$ are bounded, that is, they belong to given intervals, and the columns of $H$ belong to the probability simplex, that is, $H$ is column stochastic. BSSMF generalizes nonnegative matrix factorization (NMF), and simplex-structured matrix factorization (SSMF). BSSMF is particularly well suited when the entries of the input matrix $X$ belong to a given interval; for example when the rows of $X$ represent images, or $X$ is a rating matrix such as in the Netflix and MovieLens data sets where the entries of $X$ belong to the interval $[1,5]$. The simplex-structured matrix $H$ not only leads to an easily understandable decomposition providing a soft clustering of the columns of $X$, but implies that the entries of each column of $WH$ belong to the same intervals as the columns of $W$. In this paper, we first propose a fast algorithm for BSSMF, even in the presence of missing data in $X$. Then we provide identifiability conditions for BSSMF, that is, we provide conditions under which BSSMF admits a unique decomposition, up to trivial ambiguities. Finally, we illustrate the effectiveness of BSSMF on two applications: extraction of features in a set of images, and the matrix completion problem for recommender systems.  ( 3 min )

In recent years, great progress has been made to incorporate unlabeled data to overcome the inefficiently supervised problem via semi-supervised learning (SSL). Most state-of-the-art models are based on the idea of pursuing consistent model predictions over unlabeled data toward the input noise, which is called consistency regularization. Nonetheless, there is a lack of theoretical insights into the reason behind its success. To bridge the gap between theoretical and practical results, we propose a worst-case consistency regularization technique for SSL in this paper. Specifically, we first present a generalization bound for SSL consisting of the empirical loss terms observed on labeled and unlabeled training data separately. Motivated by this bound, we derive an SSL objective that minimizes the largest inconsistency between an original unlabeled sample and its multiple augmented variants. We then provide a simple but effective algorithm to solve the proposed minimax problem, and theoretically prove that it converges to a stationary point. Experiments on five popular benchmark datasets validate the effectiveness of our proposed method.  ( 2 min )

We study the problem of deleting user data from machine learning models trained using empirical risk minimization. Our focus is on learning algorithms which return the empirical risk minimizer and approximate unlearning algorithms that comply with deletion requests that come streaming minibatches. Leveraging the infintesimal jacknife, we develop an online unlearning algorithm that is both computationally and memory efficient. Unlike prior memory efficient unlearning algorithms, we target models that minimize objectives with non-smooth regularizers, such as the commonly used $\ell_1$, elastic net, or nuclear norm penalties. We also provide generalization, deletion capacity, and unlearning guarantees that are consistent with state of the art methods. Across a variety of benchmark datasets, our algorithm empirically improves upon the runtime of prior methods while maintaining the same memory requirements and test accuracy. Finally, we open a new direction of inquiry by proving that all approximate unlearning algorithms introduced so far fail to unlearn in problem settings where common hyperparameter tuning methods, such as cross-validation, have been used to select models.  ( 2 min )

The problem of sampling constrained continuous distributions has frequently appeared in many machine/statistical learning models. Many Monte Carlo Markov Chain (MCMC) sampling methods have been adapted to handle different types of constraints on the random variables. Among these methods, Hamilton Monte Carlo (HMC) and the related approaches have shown significant advantages in terms of computational efficiency compared to other counterparts. In this article, we first review HMC and some extended sampling methods, and then we concretely explain three constrained HMC-based sampling methods, reflection, reformulation, and spherical HMC. For illustration, we apply these methods to solve three well-known constrained sampling problems, truncated multivariate normal distributions, Bayesian regularized regression, and nonparametric density estimation. In this review, we also connect constrained sampling with another similar problem in the statistical design of experiments of constrained design space.  ( 2 min )

We give polynomial convergence guarantees for denoising diffusion models that do not rely on the data distribution satisfying functional inequalities or strong smoothness assumptions. Assuming a $L^2$-accurate score estimate, we obtain Wasserstein distance guarantees for any distributions of bounded support or sufficiently decaying tails, as well as TV guarantees for distributions with further smoothness assumptions.  ( 2 min )

The evaluation of clustering results is difficult, highly dependent on the evaluated data set and the perspective of the beholder. There are many different clustering quality measures, which try to provide a general measure to validate clustering results. A very popular measure is the Silhouette. We discuss the efficient medoid-based variant of the Silhouette, perform a theoretical analysis of its properties, and provide two fast versions for the direct optimization. We combine ideas from the original Silhouette with the well-known PAM algorithm and its latest improvements FasterPAM. One of the versions guarantees equal results to the original variant and provides a run speedup of $O(k^2)$. In experiments on real data with 30000 samples and $k$=100, we observed a 10464$\times$ speedup compared to the original PAMMEDSIL algorithm.  ( 2 min )

We propose an efficient algorithm for graph matching based on similarity scores constructed from counting a certain family of weighted trees rooted at each vertex. For two Erd\H{o}s-R\'enyi graphs $\mathcal{G}(n,q)$ whose edges are correlated through a latent vertex correspondence, we show that this algorithm correctly matches all but a vanishing fraction of the vertices with high probability, provided that $nq\to\infty$ and the edge correlation coefficient $\rho$ satisfies $\rho^2>\alpha \approx 0.338$, where $\alpha$ is Otter's tree-counting constant. Moreover, this almost exact matching can be made exact under an extra condition that is information-theoretically necessary. This is the first polynomial-time graph matching algorithm that succeeds at an explicit constant correlation and applies to both sparse and dense graphs. In comparison, previous methods either require $\rho=1-o(1)$ or are restricted to sparse graphs. The crux of the algorithm is a carefully curated family of rooted trees called chandeliers, which allows effective extraction of the graph correlation from the counts of the same tree while suppressing the undesirable correlation between those of different trees.  ( 2 min )

Scientists often use observational time series data to study complex natural processes, from climate change to civil conflict to brain activity. But regression analyses of these data often assume simplistic dynamics. Recent advances in deep learning have yielded startling improvements to the performance of models of complex processes, from speech comprehension to nuclear physics to competitive gaming. But deep learning is generally not used for scientific analysis. Here, we bridge this gap by showing that deep learning can be used, not just to imitate, but to analyze complex processes, providing flexible function approximation while preserving interpretability. Our approach -- the continuous-time deconvolutional regressive neural network (CDRNN) -- relaxes standard simplifying assumptions (e.g., linearity, stationarity, and homoscedasticity) that are implausible for many natural systems and may critically affect the interpretation of data. We evaluate CDRNNs on incremental human language processing, a domain with complex continuous dynamics. We demonstrate dramatic improvements to predictive likelihood in behavioral and neuroimaging data, and we show that CDRNNs enable flexible discovery of novel patterns in exploratory analyses, provide robust control of possible confounds in confirmatory analyses, and open up research questions that are otherwise hard to study using observational data.  ( 2 min )

Estimating the causal effects of a spatially-varying intervention on a spatially-varying outcome may be subject to non-local confounding (NLC), a phenomenon that can bias estimates when the treatments and outcomes of a given unit are dictated in part by the covariates of other nearby units. In particular, NLC is a challenge for evaluating the effects of environmental policies and climate events on health-related outcomes such as air pollution exposure. This paper first formalizes NLC using the potential outcomes framework, providing a comparison with the related phenomenon of causal interference. Then, it proposes a broadly applicable framework, termed "weather2vec", that uses the theory of balancing scores to learn representations of non-local information into a scalar or vector defined for each observational unit, which is subsequently used to adjust for confounding in conjunction with causal inference methods. The framework is evaluated in a simulation study and two case studies on air pollution where the weather is an (inherently regional) known confounder.  ( 2 min )

Causal and attribution studies are essential for earth scientific discoveries and critical for informing climate, ecology, and water policies. However, the current generation of methods needs to keep pace with the complexity of scientific and stakeholder challenges and data availability combined with the adequacy of data-driven methods. Unless carefully informed by physics, they run the risk of conflating correlation with causation or getting overwhelmed by estimation inaccuracies. Given that natural experiments, controlled trials, interventions, and counterfactual examinations are often impractical, information-theoretic methods have been developed and are being continually refined in the earth sciences. Here we show that transfer entropy-based causal graphs, which have recently become popular in the earth sciences with high-profile discoveries, can be spurious even when augmented with statistical significance. We develop a subsample-based ensemble approach for robust causality analysis. Simulated data, and observations in climate and ecohydrology, suggest the robustness and consistency of this approach.  ( 2 min )

The concept of small modular reactor has changed the outlook for tackling future energy crises. This new reactor technology is very promising considering its lower investment requirements, modularity, design simplicity, and enhanced safety features. The application of artificial intelligence-driven multi-scale modeling (neutronics, thermal hydraulics, fuel performance, etc.) incorporating Digital Twin and associated uncertainties in the research of small modular reactors is a recent concept. In this work, a comprehensive study is conducted on the multiscale modeling of accident-tolerant fuels. The application of these fuels in the light water-based small modular reactors is explored. This chapter also focuses on the application of machine learning and artificial intelligence in the design optimization, control, and monitoring of small modular reactors. Finally, a brief assessment of the research gap on the application of artificial intelligence to the development of high burnup composite accident-tolerant fuels is provided. Necessary actions to fulfill these gaps are also discussed.  ( 2 min )

We study the $K$-armed dueling bandit problem, a variation of the traditional multi-armed bandit problem in which feedback is obtained in the form of pairwise comparisons. Previous learning algorithms have focused on the $\textit{fully adaptive}$ setting, where the algorithm can make updates after every comparison. The "batched" dueling bandit problem is motivated by large-scale applications like web search ranking and recommendation systems, where performing sequential updates may be infeasible. In this work, we ask: $\textit{is there a solution using only a few adaptive rounds that matches the asymptotic regret bounds of the best sequential algorithms for $K$-armed dueling bandits?}$ We answer this in the affirmative $\textit{under the Condorcet condition}$, a standard setting of the $K$-armed dueling bandit problem. We obtain asymptotic regret of $O(K^2\log^2(K)) + O(K\log(T))$ in $O(\log(T))$ rounds, where $T$ is the time horizon. Our regret bounds nearly match the best regret bounds known in the fully sequential setting under the Condorcet condition. Finally, in computational experiments over a variety of real-world datasets, we observe that our algorithm using $O(\log(T))$ rounds achieves almost the same performance as fully sequential algorithms (that use $T$ rounds).  ( 2 min )

This article provides convergence analysis of online stochastic gradient descent algorithms for functional linear models. Adopting the characterizations of the slope function regularity, the kernel space capacity, and the capacity of the sampling process covariance operator, significant improvement on the convergence rates is achieved. Both prediction problems and estimation problems are studied, where we show that capacity assumption can alleviate the saturation of the convergence rate as the regularity of the target function increases. We show that with properly selected kernel, capacity assumptions can fully compensate for the regularity assumptions for prediction problems (but not for estimation problems). This demonstrates the significant difference between the prediction problems and the estimation problems in functional data analysis.  ( 2 min )

The merit of projecting data onto linear subspaces is well known from, e.g., dimension reduction. One key aspect of subspace projections, the maximum preservation of variance (principal component analysis), has been thoroughly researched and the effect of random linear projections on measures such as intrinsic dimensionality still is an ongoing effort. In this paper, we investigate the less explored depths of linear projections onto explicit subspaces of varying dimensionality and the expectations of variance that ensue. The result is a new family of bounds for Euclidean distances and inner products. We showcase the quality of these bounds as well as investigate the intimate relation to intrinsic dimensionality estimation.  ( 2 min )

https://github.com/huggingface/diffusers/pull/554#issuecomment-1258751183 submitted by /u/0x00groot [link] [comments]  ( 88 min )

Under what conditions does end-to-end learning fail? When does it succeed? Consider the approaches taken by Tesla and Comma.ai to build self driving cars: Comma's thesis is that end-to-end behavior cloning on human drivers is necessary and sufficient. They don't produce any intermediate outputs or use any regularization you might call "semantic", it's merely observation to action (ok, some details on how exactly you get this to work, but that's the basic idea). Wheras Tesla's approach uses ML mostly to build "models" of the world, e.g. "is this voxel occupied", "what's the flow of this voxel", "where should I stop?" etc... (they seem to have become more grounded in geometry and moved away from higher semantics in the last few years from what I can tell). From these models they seem to do some kind of classical planning/control, which still uses possibly learned predictive models of other agents/dynamic objects behavior as constraints. Possibly they're going more in the direction of learning the driving policy from humans, but I haven't seen direct evidence of that (maybe there are already some learned cost functions in the classical planner?). I'd love to hear people's opinions about when one approach is better, please give me your general intuitions. Do we expect the largest networks just meta-learn the appropriate models given enough data and capacity? Is there evidence of this (or some way to prove something like dynamics models emerging inside a large net?) submitted by /u/AristocraticOctopus [link] [comments]  ( 95 min )

Just made this discord bot that you can add to your server for free, it runs on GPUs and takes 10-20s /image. Will keep it free for as long as I can (be gentle). Enjoy! Link and use "/paint": https://discord.com/oauth2/authorize?client_id=1022993363475116082&permissions=2147485696&scope=bot submitted by /u/paulcjh [link] [comments]  ( 105 min )

Data-centric AI doesn't just stop with cleaning and preparing data for model training - there are rich insights to be gleaned from production data. By analyzing, segmenting, and selectively re-labeling your production inference data, you can generate datasets for future model retraining. This talk shows you how you can use human-in-the-loop oversight to generate high-quality, labeled datasets using Label Studio from your prediction data for future model retraining. Watch talk here. Link to Github repo. submitted by /u/modzykirsten [link] [comments]  ( 105 min )

Hi everyone, I have a non-standard-class (not PER/ORG etc.) sequence labeling task that I want to tackle with pretrained language models however the task has some attributes that make it difficult to use the standard methods such as using a pretrained NER model thus wanted to see if my planned approach is the best. The task: Sequence Labeling with custom classes (not PERSON, ORG, LOCATION etc.) Very Long Text =~ 20k+ tokens Specialized corpus Tokens that shouldn't be broken down by subword tokenization Handle numerals such as percentages & monetary values Current planned approach: Model Option A: Transformer based long-text LM such as Longformer Edit: Mega has been suggested Option B: Use a biRNN (LSTM/GRU) Language Model Use pretrained embeddings with subword tokenization Data Already labeled with custom classes Open questions: How to add regex-able specialized tokens to the vocab (i.e. prevent tokenizer divide them up into subwords) Can Longformer-like Transformer based long-text LMs be adjusted to have 20k+ max sequence lenght? Do long-text Transformer based LMs have a larger memory footprint than bidirectional RNNs? Which pretrained embeddings to use? How to handle numerals when finetuning the embeddings/LM? Any help & recommendation is greatly appreciated (feel free to reply back with a link to a paper/blog etc that might have some info)! submitted by /u/nottakumasato [link] [comments]  ( 89 min )

Behavior-Oriented Design is a methodology for constructing complex agents. Behavior-Oriented Design (BOD) is a development methodology for creating complex, complete agents such as virtual-reality characters, autonomous robots, intelligent tutors, or intelligent environments. BOD agents are modular, but not multi-agent systems. They use hierarchical reactive plans to perform arbitration between their component modules. BOD provides not only architectural specifications for modules and plans but a methodology for building them. The BOD methodology is cyclic, consisting of rules for an initial decomposition and heuristics for revising the specification over the process of development. Behavior-Based Al is an approach that specifies that intelligence should be decomposed along the lines of p…  ( 90 min )

print("Hello world! 🎉") Excited to announce the BigCode project led by ServiceNow Research and Hugging Face! In the spirit of BigScience we aim to develop large language models for code in an open and responsible way: https://www.bigcode-project.org/ Here a summary of the main goals for the collaboration: 🌸Language models for code (Codex, CodeGen) and the applications they power (AI assisted programming) are gaining traction. Some models have been released, but there are still questions around data governance, robustness of evaluation benchmarks, and the engineering behind them. 📚The first goal of BigCode is to develop and release a dataset large enough to train a state-of-the-art language model for code. We will also ensure that only files from repositories with permissive licen…  ( 108 min )

I want to extract the last meaningful hidden state from my GRU. That is, for each sequence in the batch, I want the last hidden state before padding. Currently my code looks like this (Pytorch): output, hidden = GRU(input) last_hidden = hidden[-1] However, the very last hidden state might be watered down for some sequences in the batch that are much smaller than the maximum length for that batch. I cannot use pack_padded_sequence to skip padding because it only works for RNN outputs, not their hidden states. What do I do? submitted by /u/Blutorangensaft [link] [comments]  ( 90 min )

I am building a new workstation and am wondering if AMD's inclusion of AVX-512 can improve many machine learning workloads by much, or if it has little effect. My main workloads are DL, boosted trees, sklearn, and some bayesian statistics like R-INLA. Thanks. submitted by /u/onlymagik [link] [comments]  ( 112 min )

I noticed, that Amazon lists MQTransformer as their most recent (probabilistic) forecasting model, yet the corresponding paper is not accepted to ICLR. I get that the code is lacking (sadly also no results in papers with code), which is a red flag. Nonetheless, this is somehow surprising to me as I assume this is an important topic for Amazon and if they claim to have achieved the best results with this architecture, it should be worth publishing? OpenAI and in some cases Deep Mind also omit the code, although I do not see their SOTA algorithms rejected because of this. Double standard? New and more strict requirements? What are your thoughts on this? submitted by /u/canbooo [link] [comments]  ( 91 min )

Hello, I have three time series and I wish to learn a mapping between two of them and the third. All three of them come from sensors, and the third is most likely to break on real life. At first I tried to treat is as a simple regression problem but it performed not so good on the validation set. Because I want to allow different parts of the time series of the other sensors to have higher importance in predicting a given point of the missing sensor, I thought of using an encoder-decoder framework with attention. Because it is my first time using attention, I would like to discuss whether it is appropriate given the setup I described? Second, I thought of using a simpler version of BERT, but couldn’t find any implementation that describes the layers, but only HuggingFace, within the context of NLP. Is anyone familiar with a clear implementation of such network? Thanks submitted by /u/David202023 [link] [comments]  ( 89 min )

I'm trying to use Machine Learning to analyse recorded data of chemical reactions (multiple input variables resulting in 1 output), and be able to predict the output when it's told all the inputs. Does anyone know what I can Google? I'm not sure where to start. submitted by /u/CultureImaginary [link] [comments]  ( 91 min )

https://preview.redd.it/vh0tnz0lc7q91.png?width=600&format=png&auto=webp&s=9913b8830a2ae0a621023b864a5499a367d7f114 The new release of a fast and flexible library for image augmentation includes: New augmentations RandomCropFromBorders - Crops image based on indents from image borders BBoxSafeRandomCrop - Crops image without loss of bboxes. Unlike RandomSizedBBoxSafeCrop this implementation does not apply resize to the target size. Spatter - Simulates corruption which can occlude a lens in the form of rain or mud. Defocus - Imitates lens defocusing. ZoomBlur - Imitates lens blur on zooming. Improvements and bug fixes Fixed bugs in RandomBrightnessContrast, Perspective, Affine, Rotate, Compose, RandomSunFlare, and RandomGamma. Release notes Full release notes are available at https://github.com/albumentations-team/albumentations/releases/tag/1.3.0 Installation As always, you can install the latest version of the library by running: pip install -U albumentations submitted by /u/alexparinov [link] [comments]  ( 89 min )

An analysis of TikTok subscriber count. It appears this quantity is highly predictable, and one of the strongest signals is the face of the owner of the channel: https://medium.com/@enryu9000/lookism-in-tiktok-3def0f20cf78 submitted by /u/enryu42 [link] [comments]  ( 111 min )

For an NLP task , I have trained my network on dataset D1 but use Dataset D2 for validation and test purpose. Is it correct to call this approach Cross-dataset generalisation OR Cross-dataset generalisation is something else? Edit: Dataset D1 is wikipedia. Dataset D2 is a another text corpus extracted by some other group but also covers multiple domains like wikipedia submitted by /u/7pointsome1 [link] [comments]  ( 88 min )

Is there any research on RNNs that don't require a fixed sequence length? I'm looking for some key-words for a literature search. I am asking because, in my current project, I have seen quite devastating effects of padding. I would have fun thinking about ways to get around this. Edit: I am aware that you only have to pad to the maximum length within a batch, but that still causes problems if your data vary widely in terms of sequence length. submitted by /u/Blutorangensaft [link] [comments]  ( 93 min )

Say I have 10 classes represented by 1 x n_classes vector of binary My goal is to embed a sequence of 1xN binary so that I could also model the class-co occurrence. Say, class A, B, D are present and represented as [1, 1, 0, 1, 0, 0, 0, 0, 0, 0] The goal is for the embedding model to produce an embedding for this sequence. sequence = [1, 1, 0, 1, 0, 0, 0, 0, 0, 0] embedding = model(sequence) submitted by /u/sarmientoj24 [link] [comments]  ( 113 min )

Viral content encompasses three essential principles, Entertainment value Relatable Evokes emotional response Given the fact that GPT-3 is an autoregressive language model, we can use it to transform a given text into viral content. Here is a sample input and output, ​ https://preview.redd.it/amqlx982p5q91.png?width=2240&format=png&auto=webp&s=9014162eccc788e064ae5e431c3488954e30aa89 The GPT-3 prompt I used is, I translate the given boring text into a viral post without compromising the original meaning. Another input I tried, I noticed you elected to cancel the subscription to Elephas. I would like to get your feedback before you go. Your help will be appreciated. The output I got is, We're sorry to see you go! Before you cancel your subscription, could you let us know what we could have done better? Your feedback is appreciated. As you can see, this content is much more engaging than the original. You can use this for writing emails, blogs, and social media posts. If you use a Mac and want to write engaging content like that, take a look at https://elephas.app, it has a built-in feature. Here is an example of me writing a tweet, https://reddit.com/link/xoch8r/video/xby372p6p5q91/player I am curious to know your feedback. submitted by /u/juliarmg [link] [comments]  ( 90 min )

We just uploaded the paper and the source code of our work “Revisiting Image Pyramid Structure for High Resolution Salient Object Detection” which will appear in ACCV2022. Our work does not require either high-resolution dataset or high-resolution resizing for training, but produces state-of-the-art results compared to previous high-resolution salient object detection (e.g., PGNet from CVPR2022). Paper: https://arxiv.org/abs/2209.09475 Github: https://github.com/plemeri/InSPyReNet PapersWithCode: https://paperswithcode.com/paper/revisiting-image-pyramid-structure-for-high Here are some demos of our work. Thanks! ​ https://i.redd.it/dpbgxi0am5q91.gif https://i.redd.it/xdsyfk0am5q91.gif submitted by /u/swdsld [link] [comments]  ( 88 min )

We are building a next-generation ML Platform at my organization. It's a completely greenfield project. So far we've built the model inferencing layer which will be leveraging AWS Sagemaker. For the most part, we are sort of locked into using AWS and so Sagemaker will form the foundation of our ML Platform. Snowflake will be our centralized data warehousing solution. I've now been tasked with looking into model training, experimentation and workflow orchestration and I'm trying to ascertain the right tooling choice for this. This is a big organization with multiple teams of data scientists, each with their own AWS project account so we want a tool that approaches multi-tenancy in a first class manner. Most of the Data Scientists' models are NLP or computer vision models. I believe most teams are using Sagemaker training and Pytorch. I have good experience with Prefect but I've been reading up on Argo and I believe that would be a solid choice because it containerizes tasks so each DAG will have its own packages isolated from other DAGs. But I'm not sure if Argo has good compatibility with Sagemaker. I've seen Sagemaker operators being newly released but the docs only reference Kubeflow, not Argo. I've also recently discovered Flyte which seems to check a lot of boxes. It has amazing compatibility with Sagemaker training and Snowflake, and Deep Learning distributed training. Would appreciate any advice on this. Thanks in advance. submitted by /u/rirhun [link] [comments]  ( 96 min )

Dataset is a bit confidential but I can provide a scenario that possibly has similar mechanics. Say I am creating an object detector for piano keys. Someone can take an image of a part of the piano/keyboard and get, say 4-6 keys in an image. Also, let us assume, for the sake of discussion, that a key might be missing because idk.... someone took it out. The object detector will then predict the key bounding box and the class (say E1, F1, etc.) Object detectors would work good. Say YOLO will give great results already. But I am trying to improve the detector by incorporating a branch module into the detector to add things such as co-occurence in the mix. As you can see, this is not your typical object detector. While it is multi-class, an object can only appear at most once in the …  ( 91 min )

Data-centric AI doesn't just stop with cleaning and preparing data for model training - there are rich insights to be gleaned from production data. By analyzing, segmenting, and selectively re-labeling your production inference data, you can generate datasets for future model retraining. This talk shows you how you can use human-in-the-loop oversight to generate high-quality, labeled datasets using Label Studio from your prediction data for future model retraining. Watch talk here. Link to Github repo. submitted by /u/modzykirsten [link] [comments]  ( 87 min )

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I got some accounts linked to dalle 2, dunno who to give em to soo? Who wants one submitted by /u/Designer-Career6211 [link] [comments]  ( 87 min )

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I'm trying to use Machine Learning to analyse recorded data of chemical reactions (multiple input variables resulting in 1 output), and be able to predict the output when it's told all the inputs. Does anyone know what I can Google? I'm not sure where to start. submitted by /u/CultureImaginary [link] [comments]  ( 97 min )

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Hello, everyone！ We have created an open-source all-in-one 3D medical image segmentation toolkit called MedicalSeg. MedicalSeg supports the whole segmentation process including data labeling, data preprocessing, model training, and model deployment. Major features include: Data preprocessing with 30% acceleration using CuPy. High precision pre-trained models on 5 different organs. High precision models including nnUnet, TransUnet, UNETR, Vnet, and more models are coming soon! 3D visualization demo based on itkwidgets. AI-assisted 3D medical image annotation platform called EISeg-Med3D： With the 3D segmentation model incorporated into the interactive segmentation algorithm, we managed to improve the annotation efficiency by ten times through AI-assisted click interaction! Combined with the machine learning algorithms and manual annotation toolkit, 100% accuracy is right on your hand. Let alone it is user-friendly and your annotation results and progress are saved automatically. The following images demonstrate the segmentation result predicted by MedicalSeg: lung segmentation result Spine Segmentation result EISeg-Med3D label process EISeg-Med3D: https://github.com/PaddlePaddle/PaddleSeg/blob/develop/EISeg/med3d/README_en.md MedicalSeg: https://github.com/PaddlePaddle/PaddleSeg/blob/develop/contrib/MedicalSeg/README.md submitted by /u/Daisy_SUGARFREE [link] [comments]  ( 96 min )

Exploration and analysis are simple- BigQuery, Dataproc, Spark, and Vertex AI integration simplify data access and machine learning access in the notebook. Model development and rapid prototyping- To go from data to training at scale, take advantage of the potential of unbounded compute with Vertex AI training for exploration and prototyping. Notebook workflows from start to finish- Vertex AI Workbench allows you to centralize your training and deployment procedures on Vertex AI. submitted by /u/Ishan220699 [link] [comments]  ( 87 min )

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